1-oxidanidyl-N-(5-piperazin-1-ylpyridin-2-yl)-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 1-oxidanidyl-N-(5-piperazin-1-ylpyridin-2-yl)-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-N-(5-piperazin-1-yl-2-pyridyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-N-[5-(1-piperazinyl)-2-pyridinyl]-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-N-(5-piperazin-1-ylpyridin-2-yl)-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-(5-piperazino-2-pyridyl)amine Formula: C16H17N7O MolecularWeight: 323.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=C(C=C2)NC3=NC4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CN=C(C=C2)NC3=NC4=CC=CC=C4[N+](=N3)[O-]

InChI

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