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

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pentanoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl pentanoate CAS Name: pentanoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pentanoate Traditional Name: valeric acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-2-3-13-19(24)27-14-17-20(21(25)15-9-5-4-6-10-15)23(26)18-12-8-7-11-16(18)22-17/h4-12H,2-3,13-14H2,1H3