(3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pentanoate

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pentanoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl pentanoate CAS Name: pentanoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pentanoate Traditional Name: valeric acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-3-4-9-15(20)22-10-13-16(11(2)19)18(21)14-8-6-5-7-12(14)17-13/h5-8H,3-4,9-10H2,1-2H3