[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[4-(4-methylpiperidino)anilino]ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H23N3O4/c1-15-6-10-22(11-7-15)18-4-2-17(3-5-18)21-19(24)14-27-20(25)16-8-12-23(26)13-9-16/h2-5,8-9,12-13,15H,6-7,10-11,14H2,1H3,(H,21,24)