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

Systemtic Name: methyl 1-[(2R)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H25N3O4/c1-13(21-10-8-15(9-11-21)17(23)25-2)16(22)20-18(24)19-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,19,20,22,24)/p+1/t13-/m1/s1