2-(3-azanyl-1H-1,2,4-triazol-4-ium-5-yl)ethyl-methyl-azanium dibromide

Systemtic Name: 2-(3-azanyl-1H-1,2,4-triazol-4-ium-5-yl)ethyl-methyl-azanium dibromide Openeye Name: 2-(3-amino-1H-1,2,4-triazol-4-ium-5-yl)ethyl-methyl-ammonium dibromide CAS Name: 2-(3-amino-1H-1,2,4-triazol-4-ium-5-yl)ethyl-methylammonium dibromide IUPAC Name: 2-(3-amino-1H-1,2,4-triazol-4-ium-5-yl)ethyl-methylazanium dibromide Traditional Name: 2-(3-amino-1H-1,2,4-triazol-4-ium-5-yl)ethyl-methyl-ammonium dibromide Formula: C5H13Br2N5 MolecularWeight: 302.99822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC1=[NH+]C(=NN1)N.[Br-].[Br-]

Isomeric SMILES

C[NH2+]CCC1=[NH+]C(=NN1)N.[Br-].[Br-]

InChI

InChI=1S/C5H11N5.2BrH/c1-7-3-2-4-8-5(6)10-9-4;;/h7H,2-3H2,1H3,(H3,6,8,9,10);2*1H