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

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N2O5+ MolecularWeight: 377.45466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5/c1-4-26-19(24)16-6-5-11-22(12-16)13-18(23)21-17-9-7-15(8-10-17)20(25)27-14(2)3/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,23)/p+1/t16-/m0/s1