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

Systemtic Name: N-(benzotriazol-1-ylmethyl)pyridin-1-ium-2-amine Openeye Name: N-(benzotriazol-1-ylmethyl)pyridin-1-ium-2-amine CAS Name: N-(1-benzotriazolylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-(benzotriazol-1-ylmethyl)pyridin-1-ium-2-amine Traditional Name: benzotriazol-1-ylmethyl(pyridin-1-ium-2-yl)amine Formula: C12H12N5+ MolecularWeight: 226.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC=CC=[NH+]3

InChI

InChI=1S/C12H11N5/c1-2-6-11-10(5-1)15-16-17(11)9-14-12-7-3-4-8-13-12/h1-8H,9H2,(H,13,14)/p+1