ethyl (3S)-1-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(benzylcarbamoylamino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(benzylcarbamoylamino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(benzylcarbamoylamino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O4/c1-2-26-18(24)16-9-6-11-22(14-16)12-10-17(23)21-19(25)20-13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H2,20,21,23,25)/p+1/t16-/m0/s1