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

Systemtic Name: [(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H24N2O4/c1-16(27-21(25)19-9-5-6-12-23(19)26)20(24)22-13-10-18(11-14-22)15-17-7-3-2-4-8-17/h2-9,12,16,18H,10-11,13-15H2,1H3/t16-/m1/s1