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

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-3-23-18(22)16-9-11-20(12-10-16)14(2)17(21)19-13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,21)/p+1/t14-/m1/s1