#3A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
Compound with spectra: 1 NMR
![#3A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE](/api/compound/JsnCujdiWiS.png?ph=true&h=300&w=458 "#3A/4;6,7-DIMETHOXY-3-METHYL-1-[4-(2-PROPYLPHENYL)]-2-[5-[3-[4-(3-CHLOROPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE")
| SpectraBase Compound ID | JsnCujdiWiS |
|---|---|
| InChI | InChI=1S/C36H42ClN6O2S.ClH/c1-24(2)26-10-12-27(13-11-26)34-31-23-33(45-5)32(44-4)21-28(31)20-25(3)43(34)35-38-36(40-39-35)46-19-7-14-41-15-17-42(18-16-41)30-9-6-8-29(37)22-30;/h6,8-13,20-24H,7,14-19H2,1-5H3,(H,38,39,40);1H/q+1;/p-1 |
| InChIKey | XJHRNHPDEITMPM-UHFFFAOYSA-M |
| Mol Weight | 693.7 g/mol |
| Molecular Formula | C36H42Cl2N6O2S |
| Exact Mass | 692.246701 g/mol |
| Parent InChIKey | KHQDTIPSWVCRHV-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-[4-(2-PYRIMIDINYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
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
GIEXOKUTLCGJCO-UHFFFAOYSA-N
GFKLVYFEWIBJBR-UHFFFAOYSA-N
PJHBDIYFZOWVJF-UHFFFAOYSA-N
PYVLKZNVFRBBHF-UHFFFAOYSA-N
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-N-(1'-BENZYL-5'-METHYLTHIO-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
| 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 |