2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanol chloride

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-bromophenyl)ethanol chloride Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-bromophenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-bromophenyl)ethanol chloride Formula: C22H21BrClN3O MolecularWeight: 458.77864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(C4=CC=C(C=C4)Br)O)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(C4=CC=C(C=C4)Br)O)N.[Cl-]

InChI

InChI=1S/C22H20BrN3O.ClH/c23-18-12-10-17(11-13-18)21(27)15-26-20-9-5-4-8-19(20)25(22(26)24)14-16-6-2-1-3-7-16;/h1-13,21,24,27H,14-15H2;1H