1-oxidanidyl-4-oxidanyl-6-piperazin-1-yl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-imine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=C(C=C2)[N+](=NC(=NC4=CN=CC=C4)N3O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(C=C2)[N+](=NC(=NC4=CN=CC=C4)N3O)[O-]

InChI

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