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

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-[5-methylsulfanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]isoquinolin-2-ium Openeye Name: 2-(2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dimethoxy-3-methyl-1-(p-tolyl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-[5-(methylthio)-2-(phenylmethyl)-1,2,4-triazol-3-yl]isoquinolin-2-ium IUPAC Name: 2-(2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-6,7-dimethoxy-3-methyl-1-(4-methylphenyl)isoquinolin-2-ium Traditional Name: 2-[2-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]-6,7-dimethoxy-3-methyl-1-(p-tolyl)isoquinolin-2-ium Formula: C29H29N4O2S+ MolecularWeight: 497.63116

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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(=NN4CC5=CC=CC=C5)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=NC(=NN4CC5=CC=CC=C5)SC

InChI

InChI=1S/C29H29N4O2S/c1-19-11-13-22(14-12-19)27-24-17-26(35-4)25(34-3)16-23(24)15-20(2)33(27)29-30-28(36-5)31-32(29)18-21-9-7-6-8-10-21/h6-17H,18H2,1-5H3/q+1