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

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-N,N-dimethyl-2-oxidanylidene-4H-isoquinolin-2-ium-3-carboxamide Openeye Name: 3-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-N,N-dimethyl-2-oxo-4H-isoquinolin-2-ium-3-carboxamide CAS Name: 3-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-N,N-dimethyl-2-oxo-4H-isoquinolin-2-ium-3-carboxamide IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-N,N-dimethyl-2-oxo-4H-isoquinolin-2-ium-3-carboxamide Traditional Name: 3-(2,3-dimethoxyphenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-1-(1H-indol-3-yl)-2-keto-N,N-dimethyl-4H-isoquinolin-2-ium-3-carboxamide Formula: C36H36N3O8S+ MolecularWeight: 670.75134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1(CC2=CC=CC=C2C([N+]1=O)(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=C(C=C(C=C5)OC)OC)C6=C(C(=CC=C6)OC)OC

Isomeric SMILES

CN(C)C(=O)C1(CC2=CC=CC=C2C([N+]1=O)(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=C(C=C(C=C5)OC)OC)C6=C(C(=CC=C6)OC)OC

InChI

InChI=1S/C36H36N3O8S/c1-38(2)34(40)35(27-15-11-17-30(45-4)33(27)47-6)21-23-12-7-9-14-26(23)36(39(35)41,28-22-37-29-16-10-8-13-25(28)29)48(42,43)32-19-18-24(44-3)20-31(32)46-5/h7-20,22,37H,21H2,1-6H3/q+1