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

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C20H23N3O4/c1-15-6-5-8-17(16(15)2)21-10-12-22(13-11-21)19(24)14-27-20(25)18-7-3-4-9-23(18)26/h3-9H,10-14H2,1-2H3