5-hexyl-1,3-diphenyl-1,2-dihydro-1,2,3,4-tetrazol-1-ium bromide

Systemtic Name: 5-hexyl-1,3-diphenyl-1,2-dihydro-1,2,3,4-tetrazol-1-ium bromide Openeye Name: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide CAS Name: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide IUPAC Name: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide Traditional Name: 5-hexyl-1,3-diphenyl-1,2-dihydrotetrazol-1-ium bromide Formula: C19H25BrN4 MolecularWeight: 389.3326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN(N[NH+]1C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCC1=NN(N[NH+]1C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H24N4.BrH/c1-2-3-4-11-16-19-20-23(18-14-9-6-10-15-18)21-22(19)17-12-7-5-8-13-17;/h5-10,12-15,21H,2-4,11,16H2,1H3;1H