2-[(4-dimethylaminophenyl)methylamino]-N-(1-methylsulfonylspiro[2H-indol-1-ium-3,4'-piperidine]-1-yl)-3-phenylmethoxy-propanamide

Systemtic Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(1-methylsulfonylspiro[2H-indol-1-ium-3,4'-piperidine]-1-yl)-3-phenylmethoxy-propanamide Openeye Name: 3-benzyloxy-2-[(4-dimethylaminophenyl)methylamino]-N-(1-methylsulfonylspiro[indolin-1-ium-3,4'-piperidine]-1-yl)propanamide CAS Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(1-methylsulfonyl-1-spiro[2H-indol-1-ium-3,4'-piperidine]yl)-3-phenylmethoxypropanamide IUPAC Name: 2-[(4-dimethylaminophenyl)methylamino]-N-(1-methylsulfonylspiro[2H-indol-1-ium-3,4'-piperidine]-1-yl)-3-phenylmethoxypropanamide Traditional Name: 3-benzoxy-2-[[4-(dimethylamino)benzyl]amino]-N-(1-mesylspiro[indolin-1-ium-3,4'-piperidine]-1-yl)propionamide Formula: C32H42N5O4S+ MolecularWeight: 592.77198

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(COCC2=CC=CC=C2)C(=O)N[N+]3(CC4(CCNCC4)C5=CC=CC=C53)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(COCC2=CC=CC=C2)C(=O)N[N+]3(CC4(CCNCC4)C5=CC=CC=C53)S(=O)(=O)C

InChI

InChI=1S/C32H41N5O4S/c1-36(2)27-15-13-25(14-16-27)21-34-29(23-41-22-26-9-5-4-6-10-26)31(38)35-37(42(3,39)40)24-32(17-19-33-20-18-32)28-11-7-8-12-30(28)37/h4-16,29,33-34H,17-24H2,1-3H3/p+1