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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pentanoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-3-4-10-20(25)29-14-18-21(22(26)15-8-6-5-7-9-15)24(27)19-13-16(28-2)11-12-17(19)23-18/h5-9,11-13H,3-4,10,14H2,1-2H3