methyl 1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H24N2O3/c1-12-5-4-6-15(11-12)18-16(20)13(2)19-9-7-14(8-10-19)17(21)22-3/h4-6,11,13-14H,7-10H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1