6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexanoic acid bromide

Systemtic Name: 6-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]hexanoic acid bromide Openeye Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexanoic acid bromide CAS Name: 6-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]hexanoic acid bromide IUPAC Name: 6-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)hexanoic acid bromide Traditional Name: 6-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)hexanoic acid bromide Formula: C20H24BrN3O2 MolecularWeight: 418.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2.BrH/c21-20-22(14-8-2-5-13-19(24)25)17-11-6-7-12-18(17)23(20)15-16-9-3-1-4-10-16;/h1,3-4,6-7,9-12,21H,2,5,8,13-15H2,(H,24,25);1H