1-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]butan-2-one

Systemtic Name: 1-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]butan-2-one Openeye Name: 1-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]butan-2-one CAS Name: 1-[2-(4-bromophenyl)-3-methyl-1-benzimidazol-3-iumyl]-2-butanone IUPAC Name: 1-[2-(4-bromophenyl)-3-methylbenzimidazol-3-ium-1-yl]butan-2-one Traditional Name: 1-[2-(4-bromophenyl)-3-methyl-benzimidazol-3-ium-1-yl]butan-2-one Formula: C18H18BrN2O+ MolecularWeight: 358.25232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN2O/c1-3-15(22)12-21-17-7-5-4-6-16(17)20(2)18(21)13-8-10-14(19)11-9-13/h4-11H,3,12H2,1-2H3/q+1