N,N-dimethyl-1-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-dimethyl-1-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-dimethyl-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-dimethyl-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-dimethyl-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N(C)C

InChI

InChI=1S/C23H29N3O2/c1-17-9-11-20(12-10-17)24-22(27)21(18-7-5-4-6-8-18)26-15-13-19(14-16-26)23(28)25(2)3/h4-12,19,21H,13-16H2,1-3H3,(H,24,27)/p+1/t21-/m0/s1