6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1-(p-tolyl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1-(p-tolyl)isoquinolin-2-ium Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=NC(=NN4)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=NC(=NN4)SC

InChI

InChI=1S/C22H23N4O2S/c1-13-6-8-15(9-7-13)20-17-12-19(28-4)18(27-3)11-16(17)10-14(2)26(20)21-23-22(29-5)25-24-21/h6-12H,1-5H3,(H,23,24,25)/q+1