1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N,5-trimethyl-2-oxidanylidene-4H-isoquinolin-2-ium-3-carboxamide

Systemtic Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N,5-trimethyl-2-oxidanylidene-4H-isoquinolin-2-ium-3-carboxamide Openeye Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N,5-trimethyl-2-oxo-4H-isoquinolin-2-ium-3-carboxamide CAS Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N,5-trimethyl-2-oxo-4H-isoquinolin-2-ium-3-carboxamide IUPAC Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N,5-trimethyl-2-oxo-4H-isoquinolin-2-ium-3-carboxamide Traditional Name: 1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-2-keto-3-(2-methoxyphenyl)-N,N,5-trimethyl-4H-isoquinolin-2-ium-3-carboxamide Formula: C36H36N3O7S+ MolecularWeight: 654.75194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1CC([N+](=O)C2(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=C(C=C(C=C5)OC)OC)(C6=CC=CC=C6OC)C(=O)N(C)C

Isomeric SMILES

CC1=CC=CC2=C1CC([N+](=O)C2(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=C(C=C(C=C5)OC)OC)(C6=CC=CC=C6OC)C(=O)N(C)C

InChI

InChI=1S/C36H36N3O7S/c1-23-12-11-15-27-26(23)21-35(34(40)38(2)3,28-14-8-10-17-31(28)45-5)39(41)36(27,29-22-37-30-16-9-7-13-25(29)30)47(42,43)33-19-18-24(44-4)20-32(33)46-6/h7-20,22,37H,21H2,1-6H3/q+1