6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-[4-(2-PYRIMIDINYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
Compound with spectra: 1 NMR
![6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-[4-(2-PYRIMIDINYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE](/api/compound/89ANrf5DnFl.png?ph=true&h=300&w=458 "6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-[4-(2-PYRIMIDINYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE")
| SpectraBase Compound ID | 89ANrf5DnFl |
|---|---|
| InChI | InChI=1S/C32H37N8O2S.ClH/c1-22-7-9-24(10-8-22)29-26-21-28(42-4)27(41-3)20-25(26)19-23(2)40(29)31-35-32(37-36-31)43-18-6-13-38-14-16-39(17-15-38)30-33-11-5-12-34-30;/h5,7-12,19-21H,6,13-18H2,1-4H3,(H,35,36,37);1H/q+1;/p-1 |
| InChIKey | LQGXZNAIIWNQSK-UHFFFAOYSA-M |
| Mol Weight | 633.2 g/mol |
| Molecular Formula | C32H37ClN8O2S |
| Exact Mass | 632.244871 g/mol |
| Parent InChIKey | FQDLYDBBIMIOAO-UHFFFAOYSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-2-[5-[3-(N,N-DIMETHILAMINO)-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
2-[5-(hexylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium
2-(5-hexylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium
BIS-[3-[6,7-DIMETHOXY-3-METHYL-1-(4-CHLOROPHENYL)-ISOQUINOLINIUM-2-YL]-1,2,4-TRIAZOLE-5-YLTHIO]-METHANE-DIBROMIDE
BIS-[3-[6,7-DIMETHOXY-3-METHYL-1-(4-METHOXYPHENYL)-ISOQUINOLINIUM-2-YL]-1,2,4-TRIAZOLE-5-YLTHIO]-METHANE-DIBROMIDE
1-(3-chlorophenyl)-2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
2-[4-[5-[1-(4-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol
QWTURWLWKJLVMQ-UHFFFAOYSA-N
diallyl-[5-[1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]amine
PJHBDIYFZOWVJF-UHFFFAOYSA-N
| Title | Journal or Book | Year |
|---|---|---|
| Unexpected formation of 1,2-dihydro-2-azolyl-and azinylisoquinolines by the reduction of the corresponding isoquinolinium salts with sodium borohydride in methanol | Journal of Heterocyclic Chemistry | 2004 |