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

Systemtic Name: 1-(1-butylpyridin-1-ium-3-yl)butan-1-one bromide Openeye Name: 1-(1-butylpyridin-1-ium-3-yl)butan-1-one bromide CAS Name: 1-(1-butyl-3-pyridin-1-iumyl)-1-butanone bromide IUPAC Name: 1-(1-butylpyridin-1-ium-3-yl)butan-1-one bromide Traditional Name: 1-(1-butylpyridin-1-ium-3-yl)butan-1-one bromide Formula: C13H20BrNO MolecularWeight: 286.208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20NO.BrH/c1-3-5-9-14-10-6-8-12(11-14)13(15)7-4-2;/h6,8,10-11H,3-5,7,9H2,1-2H3;1H/q+1;/p-1