3,3-dimethyl-1-(3-propylbenzimidazol-1-ium-1-yl)butan-2-one bromide

Systemtic Name: 3,3-dimethyl-1-(3-propylbenzimidazol-1-ium-1-yl)butan-2-one bromide Openeye Name: 3,3-dimethyl-1-(3-propylbenzimidazol-1-ium-1-yl)butan-2-one bromide CAS Name: 3,3-dimethyl-1-(3-propyl-1-benzimidazol-1-iumyl)-2-butanone bromide IUPAC Name: 3,3-dimethyl-1-(3-propylbenzimidazol-1-ium-1-yl)butan-2-one bromide Traditional Name: 3,3-dimethyl-1-(3-propylbenzimidazol-1-ium-1-yl)butan-2-one bromide Formula: C16H23BrN2O MolecularWeight: 339.27062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=[N+](C2=CC=CC=C21)CC(=O)C(C)(C)C.[Br-]

Isomeric SMILES

CCCN1C=[N+](C2=CC=CC=C21)CC(=O)C(C)(C)C.[Br-]

InChI

InChI=1S/C16H23N2O.BrH/c1-5-10-17-12-18(11-15(19)16(2,3)4)14-9-7-6-8-13(14)17;/h6-9,12H,5,10-11H2,1-4H3;1H/q+1;/p-1