methyl 1-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-16-8-10-19(11-9-16)23-21(25)20(17-6-4-3-5-7-17)24-14-12-18(13-15-24)22(26)27-2/h3-11,18,20H,12-15H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1