1-(azepan-1-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone chloride

Systemtic Name: 1-(azepan-1-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone chloride Openeye Name: 1-(azepan-1-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone chloride CAS Name: 1-(1-azepanyl)-2-(2,3-dimethyl-1-imidazol-3-iumyl)ethanone chloride IUPAC Name: 1-(azepan-1-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone chloride Traditional Name: 1-(azepan-1-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone chloride Formula: C13H22ClN3O MolecularWeight: 271.78628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC(=O)N2CCCCCC2)C.[Cl-]

Isomeric SMILES

CC1=[N+](C=CN1CC(=O)N2CCCCCC2)C.[Cl-]

InChI

InChI=1S/C13H22N3O.ClH/c1-12-14(2)9-10-16(12)11-13(17)15-7-5-3-4-6-8-15;/h9-10H,3-8,11H2,1-2H3;1H/q+1;/p-1