3-[2-azanylidene-3-[2-(4-bromophenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[2-azanylidene-3-[2-(4-bromophenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-[3-[2-(4-bromophenyl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium chloride CAS Name: 3-[3-[2-(4-bromophenyl)-2-hydroxyethyl]-2-imino-1-benzimidazolyl]propyl-dimethylammonium chloride IUPAC Name: 3-[3-[2-(4-bromophenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]propyl-dimethylazanium chloride Traditional Name: 3-[3-[2-(4-bromophenyl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium chloride Formula: C20H26BrClN4O MolecularWeight: 453.80364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=C(C=C3)Br)O.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2N(C1=N)CC(C3=CC=C(C=C3)Br)O.[Cl-]

InChI

InChI=1S/C20H25BrN4O.ClH/c1-23(2)12-5-13-24-17-6-3-4-7-18(17)25(20(24)22)14-19(26)15-8-10-16(21)11-9-15;/h3-4,6-11,19,22,26H,5,12-14H2,1-2H3;1H