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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H27N2O4+ MolecularWeight: 347.42868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C19H26N2O4/c1-14(22)17(12-15-6-4-3-5-7-15)20-18(23)13-21-10-8-16(9-11-21)19(24)25-2/h3-7,16-17H,8-13H2,1-2H3,(H,20,23)/p+1/t17-/m0/s1