ethyl (3S)-1-[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C18H26N2O4/c1-4-24-18(22)14-8-7-11-20(12-14)13(2)17(21)19-15-9-5-6-10-16(15)23-3/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,19,21)/p+1/t13-,14-/m0/s1