[4-(3-methylbutoxy)phenyl]-(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)methanone

Systemtic Name: [4-(3-methylbutoxy)phenyl]-(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)methanone Openeye Name: (4-isopentyloxyphenyl)-(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)methanone CAS Name: [4-(3-methylbutoxy)phenyl]-(3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)methanone IUPAC Name: [4-(3-methylbutoxy)phenyl]-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanone Traditional Name: (4-isoamoxyphenyl)-(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C21H22N2O4/c1-14(2)12-13-27-17-10-8-16(9-11-17)21(24)20-15(3)22(25)18-6-4-5-7-19(18)23(20)26/h4-11,14H,12-13H2,1-3H3