5-bromanyl-N-(1,2,4-triazol-1-ylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 5-bromanyl-N-(1,2,4-triazol-1-ylmethyl)pyridin-1-ium-2-amine Openeye Name: 5-bromo-N-(1,2,4-triazol-1-ylmethyl)pyridin-1-ium-2-amine CAS Name: 5-bromo-N-(1,2,4-triazol-1-ylmethyl)-2-pyridin-1-iumamine IUPAC Name: 5-bromo-N-(1,2,4-triazol-1-ylmethyl)pyridin-1-ium-2-amine Traditional Name: (5-bromopyridin-1-ium-2-yl)-(1,2,4-triazol-1-ylmethyl)amine Formula: C8H9BrN5+ MolecularWeight: 255.09456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[NH+]C=C1Br)NCN2C=NC=N2

Isomeric SMILES

C1=CC(=[NH+]C=C1Br)NCN2C=NC=N2

InChI

InChI=1S/C8H8BrN5/c9-7-1-2-8(11-3-7)12-6-14-5-10-4-13-14/h1-5H,6H2,(H,11,12)/p+1