(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-(4-pentylphenyl)methanone

Systemtic Name: (3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)-(4-pentylphenyl)methanone Openeye Name: (3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)-(4-pentylphenyl)methanone CAS Name: (3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-(4-pentylphenyl)methanone IUPAC Name: (3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-(4-pentylphenyl)methanone Traditional Name: (4-amylphenyl)-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C21H22N2O3 MolecularWeight: 350.41098

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-3-4-5-8-16-11-13-17(14-12-16)21(24)20-15(2)22(25)18-9-6-7-10-19(18)23(20)26/h6-7,9-14H,3-5,8H2,1-2H3