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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N[C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3/c1-3-25-20(24)18-11-13-22(14-12-18)15-19(23)21-16(2)9-10-17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3,(H,21,23)/p+1/t16-/m1/s1