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

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCC[C@@H](C2)C(=O)OCC

InChI

InChI=1S/C19H28N2O4/c1-4-24-17-11-7-6-10-16(17)20-18(22)14(3)21-12-8-9-15(13-21)19(23)25-5-2/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,20,22)/p+1/t14-,15-/m0/s1