1-(1-butylpyridin-1-ium-3-yl)propan-1-one bromide

Systemtic Name: 1-(1-butylpyridin-1-ium-3-yl)propan-1-one bromide Openeye Name: 1-(1-butylpyridin-1-ium-3-yl)propan-1-one bromide CAS Name: 1-(1-butyl-3-pyridin-1-iumyl)-1-propanone bromide IUPAC Name: 1-(1-butylpyridin-1-ium-3-yl)propan-1-one bromide Traditional Name: 1-(1-butylpyridin-1-ium-3-yl)propan-1-one bromide Formula: C12H18BrNO MolecularWeight: 272.18142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)C(=O)CC.[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)C(=O)CC.[Br-]

InChI

InChI=1S/C12H18NO.BrH/c1-3-5-8-13-9-6-7-11(10-13)12(14)4-2;/h6-7,9-10H,3-5,8H2,1-2H3;1H/q+1;/p-1