1-oxidanidyl-4-oxidanyl-N-(6-piperazin-1-ylpyridin-3-yl)-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 1-oxidanidyl-4-oxidanyl-N-(6-piperazin-1-ylpyridin-3-yl)-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-1-oxido-N-(6-piperazin-1-yl-3-pyridyl)-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-N-[6-(1-piperazinyl)-3-pyridinyl]-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-1-oxido-N-(6-piperazin-1-ylpyridin-3-yl)-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-(6-piperazino-3-pyridyl)amine Formula: C16H17N7O2 MolecularWeight: 339.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2)N=C3N=[N+](C4=CC=CC=C4N3O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2)N=C3N=[N+](C4=CC=CC=C4N3O)[O-]

InChI

InChI=1S/C16H17N7O2/c24-22-13-3-1-2-4-14(13)23(25)20-16(22)19-12-5-6-15(18-11-12)21-9-7-17-8-10-21/h1-6,11,17,24H,7-10H2