#3A/7;6,7-DIMETHOXY-3-METHYL-1-(3,4-DICHOLROPHENYL)-2-[5-[3-[4-(3,4-DIMETHYLPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE
Compound with spectra: 1 NMR
![#3A/7;6,7-DIMETHOXY-3-METHYL-1-(3,4-DICHOLROPHENYL)-2-[5-[3-[4-(3,4-DIMETHYLPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE](/api/compound/287new2vf0P.png?ph=true&h=300&w=458 "#3A/7;6,7-DIMETHOXY-3-METHYL-1-(3,4-DICHOLROPHENYL)-2-[5-[3-[4-(3,4-DIMETHYLPHENYL)-PIPERAZIN-1-YL]-PROPYLTHIO]-1,2,4-TRIAZOL-3-YL]-ISOQUINOLINIUM-CHLORIDE")
| SpectraBase Compound ID | 287new2vf0P |
|---|---|
| InChI | InChI=1S/C35H39Cl2N6O2S.ClH/c1-22-7-9-27(17-23(22)2)42-14-12-41(13-15-42)11-6-16-46-35-38-34(39-40-35)43-24(3)18-26-20-31(44-4)32(45-5)21-28(26)33(43)25-8-10-29(36)30(37)19-25;/h7-10,17-21H,6,11-16H2,1-5H3,(H,38,39,40);1H/q+1;/p-1 |
| InChIKey | QVKWTFSTZCTRER-UHFFFAOYSA-M |
| Mol Weight | 714.2 g/mol |
| Molecular Formula | C35H39Cl3N6O2S |
| Exact Mass | 712.192079 g/mol |
| Parent InChIKey | JNYJCNUZELZIJG-UHFFFAOYSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
1-(3,4-dichlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-morpholin-4-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
LMDMGUGDGUNFDZ-UHFFFAOYSA-N
[5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine
QBOYRSMPWKUHOW-UHFFFAOYSA-N
1-(2-chlorophenyl)-2-[5-(ethylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
1-(2-chlorophenyl)-2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium
1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-N-(2'-BENZYL-5'-METHYLTHIO-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
ANTSHEQTZMZQKF-UHFFFAOYSA-N
1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium
| 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 |