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

Systemtic Name: (3S)-1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-carbethoxyanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-2-24-17(23)12-5-7-14(8-6-12)18-15(20)11-19-9-3-4-13(10-19)16(21)22/h5-8,13H,2-4,9-11H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1