4-[4-(3-cyano-6,7-dimethyl-4-oxidanidyl-1-oxidanyl-3,4-dihydroquinoxalin-4-ium-2-ylidene)piperazin-4-ium-1-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[4-(3-cyano-6,7-dimethyl-4-oxidanidyl-1-oxidanyl-3,4-dihydroquinoxalin-4-ium-2-ylidene)piperazin-4-ium-1-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[4-(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-3,4-dihydroquinoxalin-4-ium-2-ylidene)piperazin-4-ium-1-yl]-N-hydroxy-benzeneamine oxide CAS Name: 4-[4-(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-3,4-dihydroquinoxalin-4-ium-2-ylidene)-1-piperazin-4-iumyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[4-(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-3,4-dihydroquinoxalin-4-ium-2-ylidene)piperazin-4-ium-1-yl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[4-(3-cyano-1-hydroxy-6,7-dimethyl-4-oxido-3,4-dihydroquinoxalin-4-ium-2-ylidene)piperazin-4-ium-1-yl]-N-hydroxy-benzeneamine oxide Formula: C21H25N6O4+ MolecularWeight: 425.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=[N+]3CCN(CC3)C4=CC=C(C=C4)[NH+](O)[O-])C([NH+]2[O-])C#N)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=[N+]3CCN(CC3)C4=CC=C(C=C4)[NH+](O)[O-])C([NH+]2[O-])C#N)O

InChI

InChI=1S/C21H25N6O4/c1-14-11-18-19(12-15(14)2)26(29)21(20(13-22)25(18)28)24-9-7-23(8-10-24)16-3-5-17(6-4-16)27(30)31/h3-6,11-12,20,25,27,29-30H,7-10H2,1-2H3/q+1