[6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl cyclohexanecarboxylate

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl cyclohexanecarboxylate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C23H20Cl2N2O4 MolecularWeight: 459.3219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20Cl2N2O4/c24-16-11-18-20(12-17(16)25)27(30)21(22(28)14-7-3-1-4-8-14)19(26-18)13-31-23(29)15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2