5-(benzotriazol-1-ylmethyl)-3-methyl-pyridin-1-ium-2-amine

Systemtic Name: 5-(benzotriazol-1-ylmethyl)-3-methyl-pyridin-1-ium-2-amine Openeye Name: 5-(benzotriazol-1-ylmethyl)-3-methyl-pyridin-1-ium-2-amine CAS Name: 5-(1-benzotriazolylmethyl)-3-methyl-2-pyridin-1-iumamine IUPAC Name: 5-(benzotriazol-1-ylmethyl)-3-methylpyridin-1-ium-2-amine Traditional Name: [5-(benzotriazol-1-ylmethyl)-3-methyl-pyridin-1-ium-2-yl]amine Formula: C13H14N5+ MolecularWeight: 240.28376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC(=C1)CN2C3=CC=CC=C3N=N2)N

Isomeric SMILES

CC1=C([NH+]=CC(=C1)CN2C3=CC=CC=C3N=N2)N

InChI

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