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

Systemtic Name: methyl 1-oxidanidyl-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 1-oxido-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-(1-oxopentoxymethyl)-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-oxido-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-(valeryloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-3-4-9-14(19)23-10-12-15(16(20)22-2)18(21)13-8-6-5-7-11(13)17-12/h5-8H,3-4,9-10H2,1-2H3