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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

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