ethyl 3-(butanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-(butanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(butanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-(1-oxobutoxymethyl)-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(butanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(butyryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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