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

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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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=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2.BrH/c1-28-19-13-11-18(12-14-19)22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)15-17-7-3-2-4-8-17;/h2-14,24H,15-16H2,1H3;1H