N-(benzotriazol-1-ylmethyl)-1-methyl-pyridin-1-ium-2-amine iodide

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-methyl-pyridin-1-ium-2-amine iodide Openeye Name: N-(benzotriazol-1-ylmethyl)-1-methyl-pyridin-1-ium-2-amine iodide CAS Name: N-(1-benzotriazolylmethyl)-1-methyl-2-pyridin-1-iumamine iodide IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-methylpyridin-1-ium-2-amine iodide Traditional Name: benzotriazol-1-ylmethyl-(1-methylpyridin-1-ium-2-yl)amine iodide Formula: C13H14IN5 MolecularWeight: 367.18823

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1NCN2C3=CC=CC=C3N=N2.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1NCN2C3=CC=CC=C3N=N2.[I-]

InChI

InChI=1S/C13H13N5.HI/c1-17-9-5-4-8-13(17)14-10-18-12-7-3-2-6-11(12)15-16-18;/h2-9H,10H2,1H3;1H