[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H18ClN3O4/c19-15-2-1-3-16(12-15)20-8-10-21(11-9-20)17(23)13-26-18(24)14-4-6-22(25)7-5-14/h1-7,12H,8-11,13H2