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

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H22N2O4/c23-19(15-26-20(24)16-11-13-21(25)14-12-16)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2