2-(1-cyclopentylindol-3-yl)sulfanylethyl-methyl-pyrrolidin-2-ylidene-azanium benzoate

Systemtic Name: 2-(1-cyclopentylindol-3-yl)sulfanylethyl-methyl-pyrrolidin-2-ylidene-azanium benzoate Openeye Name: 2-(1-cyclopentylindol-3-yl)sulfanylethyl-methyl-pyrrolidin-2-ylidene-ammonium benzoate CAS Name: 2-[(1-cyclopentyl-3-indolyl)thio]ethyl-methyl-(2-pyrrolidinylidene)ammonium benzoate IUPAC Name: 2-(1-cyclopentylindol-3-yl)sulfanylethyl-methyl-pyrrolidin-2-ylideneazanium benzoate Traditional Name: 2-[(1-cyclopentylindol-3-yl)thio]ethyl-methyl-pyrrolidin-2-ylidene-ammonium benzoate Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1CCCN1)CCSC2=CN(C3=CC=CC=C32)C4CCCC4.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[N+](=C1CCCN1)CCSC2=CN(C3=CC=CC=C32)C4CCCC4.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C20H27N3S.C7H6O2/c1-22(20-11-6-12-21-20)13-14-24-19-15-23(16-7-2-3-8-16)18-10-5-4-9-17(18)19;8-7(9)6-4-2-1-3-5-6/h4-5,9-10,15-16H,2-3,6-8,11-14H2,1H3;1-5H,(H,8,9)