3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one bromide

Systemtic Name: 3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one bromide Openeye Name: 3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one bromide CAS Name: 3,3-dimethyl-1-(1-pyridin-1-iumyl)-2-butanone bromide IUPAC Name: 3,3-dimethyl-1-pyridin-1-ium-1-ylbutan-2-one bromide Traditional Name: 3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one bromide Formula: C11H16BrNO MolecularWeight: 258.15484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO.BrH/c1-11(2,3)10(13)9-12-7-5-4-6-8-12;/h4-8H,9H2,1-3H3;1H/q+1;/p-1