(3S)-1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-ethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(p-phenetidino)ethyl]piperidin-1-ium-3-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-2-22-14-7-5-13(6-8-14)17-15(19)11-18-9-3-4-12(10-18)16(20)21/h5-8,12H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1