2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C23H21BrClN3O2 MolecularWeight: 486.78874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C23H20ClN3O2.BrH/c1-29-19-12-8-17(9-13-19)22(28)15-27-21-5-3-2-4-20(21)26(23(27)25)14-16-6-10-18(24)11-7-16;/h2-13,25H,14-15H2,1H3;1H