3-[(3-methylimidazol-3-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one chloride

Systemtic Name: 3-[(3-methylimidazol-3-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one chloride Openeye Name: 3-[(3-methylimidazol-3-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one chloride CAS Name: 3-[(3-methyl-1-imidazol-3-iumyl)methyl]-1,2,3-benzotriazin-4-one chloride IUPAC Name: 3-[(3-methylimidazol-3-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one chloride Traditional Name: 3-[(3-methylimidazol-3-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one chloride Formula: C12H12ClN5O MolecularWeight: 277.70958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CN2C(=O)C3=CC=CC=C3N=N2.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CN2C(=O)C3=CC=CC=C3N=N2.[Cl-]

InChI

InChI=1S/C12H12N5O.ClH/c1-15-6-7-16(8-15)9-17-12(18)10-4-2-3-5-11(10)13-14-17;/h2-8H,9H2,1H3;1H/q+1;/p-1