[3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone

Systemtic Name: [3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone Openeye Name: [3-(hydroxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone CAS Name: [3-(hydroxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]-(4-pentoxyphenyl)methanone IUPAC Name: [3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]-(4-pentoxyphenyl)methanone Traditional Name: (4-amoxyphenyl)-(1-keto-3-methylol-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CO

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CO

InChI

InChI=1S/C21H22N2O5/c1-2-3-6-13-28-16-11-9-15(10-12-16)21(25)20-19(14-24)22(26)17-7-4-5-8-18(17)23(20)27/h4-5,7-12,24H,2-3,6,13-14H2,1H3