3-butyl-1,2,3-triazol-3-ium-1-amine bromide

Systemtic Name: 3-butyl-1,2,3-triazol-3-ium-1-amine bromide Openeye Name: 3-butyltriazol-3-ium-1-amine bromide CAS Name: 3-butyl-1-triazol-3-iumamine bromide IUPAC Name: 3-butyltriazol-3-ium-1-amine bromide Traditional Name: (3-butyltriazol-3-ium-1-yl)amine bromide Formula: C6H13BrN4 MolecularWeight: 221.09822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=NN(C=C1)N.[Br-]

Isomeric SMILES

CCCC[N+]1=NN(C=C1)N.[Br-]

InChI

InChI=1S/C6H13N4.BrH/c1-2-3-4-9-5-6-10(7)8-9;/h5-6H,2-4H2,1H3,(H2,7,8);1H/q+1;/p-1