methyl 1-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-16-9-10-20(28-2)19(15-16)24-22(26)21(17-7-5-4-6-8-17)25-13-11-18(12-14-25)23(27)29-3/h4-10,15,18,21H,11-14H2,1-3H3,(H,24,26)/p+1/t21-/m0/s1