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

Systemtic Name: 1-oxidanidyl-6-piperazin-1-yl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-6-piperazin-1-yl-N-(3-pyridyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-6-(1-piperazinyl)-N-(3-pyridinyl)-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-6-piperazin-1-yl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-6-piperazino-1,2,4-benzotriazin-1-ium-3-yl)-(3-pyridyl)amine Formula: C16H17N7O MolecularWeight: 323.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=C(C=C2)[N+](=NC(=N3)NC4=CN=CC=C4)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(C=C2)[N+](=NC(=N3)NC4=CN=CC=C4)[O-]

InChI

InChI=1S/C16H17N7O/c24-23-15-4-3-13(22-8-6-17-7-9-22)10-14(15)20-16(21-23)19-12-2-1-5-18-11-12/h1-5,10-11,17H,6-9H2,(H,19,20,21)