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

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl butanoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl butanoate CAS Name: butanoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl butanoate Traditional Name: butyric acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H18N2O4/c1-2-8-18(23)26-13-16-19(20(24)14-9-4-3-5-10-14)22(25)17-12-7-6-11-15(17)21-16/h3-7,9-12H,2,8,13H2,1H3