6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexan-1-ol bromide

Systemtic Name: 6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexan-1-ol bromide Openeye Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexan-1-ol bromide CAS Name: 6-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-hexanol bromide IUPAC Name: 6-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)hexan-1-ol bromide Traditional Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexan-1-ol bromide Formula: C20H26BrN3O MolecularWeight: 404.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCO)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCO)N.[Br-]

InChI

InChI=1S/C20H25N3O.BrH/c21-20-22(14-8-1-2-9-15-24)18-12-6-7-13-19(18)23(20)16-17-10-4-3-5-11-17;/h3-7,10-13,21,24H,1-2,8-9,14-16H2;1H