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

Systemtic Name: [3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-pentylphenyl)methanone Openeye Name: [3-(hydroxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]-(4-pentylphenyl)methanone CAS Name: [3-(hydroxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]-(4-pentylphenyl)methanone IUPAC Name: [3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-(1-keto-3-methylol-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CO

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])CO

InChI

InChI=1S/C21H22N2O4/c1-2-3-4-7-15-10-12-16(13-11-15)21(25)20-19(14-24)22(26)17-8-5-6-9-18(17)23(20)27/h5-6,8-13,24H,2-4,7,14H2,1H3