2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone Openeye Name: 2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone CAS Name: 2-(3-butyl-2-methyl-1-benzimidazol-1-iumyl)-1-(4-chlorophenyl)ethanone IUPAC Name: 2-(3-butyl-2-methylbenzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone Traditional Name: 2-(3-butyl-2-methyl-benzimidazol-1-ium-1-yl)-1-(4-chlorophenyl)ethanone Formula: C20H22ClN2O+ MolecularWeight: 341.85448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCN1C(=[N+](C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClN2O/c1-3-4-13-22-15(2)23(19-8-6-5-7-18(19)22)14-20(24)16-9-11-17(21)12-10-16/h5-12H,3-4,13-14H2,1-2H3/q+1