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

Systemtic Name: ethyl (3R)-1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-(4-carbethoxyanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C19H26N2O5/c1-3-25-18(23)14-7-9-16(10-8-14)20-17(22)13-21-11-5-6-15(12-21)19(24)26-4-2/h7-10,15H,3-6,11-13H2,1-2H3,(H,20,22)/p+1/t15-/m1/s1