3-[1-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-3-phenyl-indol-3-yl]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-3-phenyl-indol-3-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-[1-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-3-phenyl-indolin-3-yl]propyl-dimethyl-ammonium chloride CAS Name: 3-[1-[(4-chlorophenyl)methyl-methylamino]-2-oxo-3-phenyl-3-indolyl]propyl-dimethylammonium chloride IUPAC Name: 3-[1-[(4-chlorophenyl)methyl-methylamino]-2-oxo-3-phenylindol-3-yl]propyl-dimethylazanium chloride Traditional Name: 3-[1-[(4-chlorobenzyl)-methyl-amino]-2-keto-3-phenyl-indolin-3-yl]propyl-dimethyl-ammonium chloride Formula: C27H31Cl2N3O MolecularWeight: 484.46054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH+](C)CCCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H30ClN3O.ClH/c1-29(2)19-9-18-27(22-10-5-4-6-11-22)24-12-7-8-13-25(24)31(26(27)32)30(3)20-21-14-16-23(28)17-15-21;/h4-8,10-17H,9,18-20H2,1-3H3;1H