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

Systemtic Name: 1-oxidanidyl-6-phenyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 1-oxido-6-phenyl-N-(3-pyridyl)-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 1-oxido-6-phenyl-N-(3-pyridinyl)-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 1-oxido-6-phenyl-N-pyridin-3-yl-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (1-oxido-6-phenyl-1,2,4-benzotriazin-1-ium-3-yl)-(3-pyridyl)amine Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](=NC(=N3)NC4=CN=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](=NC(=N3)NC4=CN=CC=C4)[O-]

InChI

InChI=1S/C18H13N5O/c24-23-17-9-8-14(13-5-2-1-3-6-13)11-16(17)21-18(22-23)20-15-7-4-10-19-12-15/h1-12H,(H,20,21,22)