[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl cyclohexanecarboxylate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl cyclohexanecarboxylate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H22N2O4/c26-22(16-9-3-1-4-10-16)21-19(15-29-23(27)17-11-5-2-6-12-17)24-18-13-7-8-14-20(18)25(21)28/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2