(3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl butanoate

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl butanoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl butanoate CAS Name: butanoic acid (3-acetyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl butanoate Traditional Name: butyric acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=NC2=C(C=C(C=C2)OCC)[N+](=C1C(=O)C)[O-]

Isomeric SMILES

CCCC(=O)OCC1=NC2=C(C=C(C=C2)OCC)[N+](=C1C(=O)C)[O-]

InChI

InChI=1S/C17H20N2O5/c1-4-6-16(21)24-10-14-17(11(3)20)19(22)15-9-12(23-5-2)7-8-13(15)18-14/h7-9H,4-6,10H2,1-3H3