3,3-dimethyl-1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)butan-2-one bromide

Systemtic Name: 3,3-dimethyl-1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)butan-2-one bromide Openeye Name: 3,3-dimethyl-1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)butan-2-one bromide CAS Name: 3,3-dimethyl-1-(3-methyl-2-propyl-1-benzimidazol-3-iumyl)-2-butanone bromide IUPAC Name: 3,3-dimethyl-1-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)butan-2-one bromide Traditional Name: 3,3-dimethyl-1-(3-methyl-2-propyl-benzimidazol-3-ium-1-yl)butan-2-one bromide Formula: C17H25BrN2O MolecularWeight: 353.2972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2N1CC(=O)C(C)(C)C)C.[Br-]

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2N1CC(=O)C(C)(C)C)C.[Br-]

InChI

InChI=1S/C17H25N2O.BrH/c1-6-9-16-18(5)13-10-7-8-11-14(13)19(16)12-15(20)17(2,3)4;/h7-8,10-11H,6,9,12H2,1-5H3;1H/q+1;/p-1