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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl propanoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-3-18(23)27-12-16-19(20(24)13-7-5-4-6-8-13)22(25)17-11-14(26-2)9-10-15(17)21-16/h4-11H,3,12H2,1-2H3