6,7-dimethyl-4-oxidanidyl-3-[4-[4-[oxidanidyl(oxidanyl)amino]phenyl]piperazin-1-yl]-1-oxidanyl-2H-quinoxalin-4-ium-2-carbonitrile

Systemtic Name: 6,7-dimethyl-4-oxidanidyl-3-[4-[4-[oxidanidyl(oxidanyl)amino]phenyl]piperazin-1-yl]-1-oxidanyl-2H-quinoxalin-4-ium-2-carbonitrile Openeye Name: 1-hydroxy-3-[4-[4-[hydroxy(oxido)amino]phenyl]piperazin-1-yl]-6,7-dimethyl-4-oxido-2H-quinoxalin-4-ium-2-carbonitrile CAS Name: 1-hydroxy-3-[4-[4-[hydroxy(oxido)amino]phenyl]-1-piperazinyl]-6,7-dimethyl-4-oxido-2H-quinoxalin-4-ium-2-carbonitrile IUPAC Name: 1-hydroxy-3-[4-[4-[hydroxy(oxido)amino]phenyl]piperazin-1-yl]-6,7-dimethyl-4-oxido-2H-quinoxalin-4-ium-2-carbonitrile Traditional Name: 1-hydroxy-3-[4-[4-[hydroxy(oxido)amino]phenyl]piperazino]-6,7-dimethyl-4-oxido-2H-quinoxalin-4-ium-2-carbonitrile Formula: C21H23N6O4- MolecularWeight: 423.44512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C(C(N2O)C#N)N3CCN(CC3)C4=CC=C(C=C4)N(O)[O-])[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C(C(N2O)C#N)N3CCN(CC3)C4=CC=C(C=C4)N(O)[O-])[O-]

InChI

InChI=1S/C21H23N6O4/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/h3-6,11-12,20,28,30H,7-10H2,1-2H3/q-1