1-cyclopentyl-2-[4-[dimethyl(phenethyl)azaniumyl]piperidin-1-yl]-1-(4-methylphenyl)-2-oxidanylidene-ethanolate

Systemtic Name: 1-cyclopentyl-2-[4-[dimethyl(phenethyl)azaniumyl]piperidin-1-yl]-1-(4-methylphenyl)-2-oxidanylidene-ethanolate Openeye Name: 1-cyclopentyl-2-[4-[dimethyl(phenethyl)ammonio]-1-piperidyl]-2-oxo-1-(p-tolyl)ethanolate CAS Name: 1-cyclopentyl-2-[4-[dimethyl(phenethyl)ammonio]-1-piperidinyl]-1-(4-methylphenyl)-2-oxoethanolate IUPAC Name: 1-cyclopentyl-2-[4-[dimethyl(phenethyl)azaniumyl]piperidin-1-yl]-1-(4-methylphenyl)-2-oxoethanolate Traditional Name: 1-cyclopentyl-2-[4-[dimethyl(phenethyl)ammonio]piperidino]-2-keto-1-(p-tolyl)ethanolate Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCC2)(C(=O)N3CCC(CC3)[N+](C)(C)CCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CCCC2)(C(=O)N3CCC(CC3)[N+](C)(C)CCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C29H40N2O2/c1-23-13-15-26(16-14-23)29(33,25-11-7-8-12-25)28(32)30-20-17-27(18-21-30)31(2,3)22-19-24-9-5-4-6-10-24/h4-6,9-10,13-16,25,27H,7-8,11-12,17-22H2,1-3H3