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

Systemtic Name: (3-ethanoyl-6-ethoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl propanoate Openeye Name: (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid (3-acetyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-4-15(20)23-9-13-16(10(3)19)18(21)14-8-11(22-5-2)6-7-12(14)17-13/h6-8H,4-5,9H2,1-3H3