1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-N,N,6-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,6-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,6-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,6-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,6-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,6-trimethyl-4H-isoquinolin-2-ium-3-carboxamide Formula: C36H36N3O7S+ MolecularWeight: 654.75194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C([N+](=O)C(C2)(C3=CC=CC=C3OC)C(=O)N(C)C)(C4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C([N+](=O)C(C2)(C3=CC=CC=C3OC)C(=O)N(C)C)(C4=CNC5=CC=CC=C54)S(=O)(=O)C6=C(C=C(C=C6)OC)OC

InChI

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