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

Systemtic Name: methyl 1-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)OC

InChI

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