methyl 7-methoxy-1-oxidanidyl-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-methoxy-1-oxidanidyl-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-methoxy-1-oxido-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-1-oxido-3-(1-oxopentoxymethyl)-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-1-oxido-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-(valeryloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-4-5-6-15(20)25-10-13-16(17(21)24-3)19(22)14-9-11(23-2)7-8-12(14)18-13/h7-9H,4-6,10H2,1-3H3