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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N[C@H](CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C20H28N2O4/c1-3-26-20(25)17-9-11-22(12-10-17)14-19(24)21-18(15(2)23)13-16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1