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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H23N3O4/c1-15(27-20(25)16-9-13-23(26)14-10-16)19(24)21-17-5-7-18(8-6-17)22-11-3-2-4-12-22/h5-10,13-15H,2-4,11-12H2,1H3,(H,21,24)/t15-/m1/s1