2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-propan-1-one bromide

Systemtic Name: 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-propan-1-one bromide Openeye Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-phenyl-propan-1-one bromide CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-phenyl-1-propanone bromide IUPAC Name: 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-phenylpropan-1-one bromide Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-phenyl-propan-1-one bromide Formula: C25H25BrN2O MolecularWeight: 449.3828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2C(C)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2C(C)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H25N2O.BrH/c1-18-14-23-24(15-19(18)2)27(17-26(23)16-21-10-6-4-7-11-21)20(3)25(28)22-12-8-5-9-13-22;/h4-15,17,20H,16H2,1-3H3;1H/q+1;/p-1