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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl butanoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl butanoate CAS Name: butanoic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl butanoate Traditional Name: butyric acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-3-7-19(24)28-13-17-20(21(25)14-8-5-4-6-9-14)23(26)18-12-15(27-2)10-11-16(18)22-17/h4-6,8-12H,3,7,13H2,1-2H3