1-butyl-3,3-dimethyl-pyridin-1-ium-2-one bromide

Systemtic Name: 1-butyl-3,3-dimethyl-pyridin-1-ium-2-one bromide Openeye Name: 1-butyl-3,3-dimethyl-pyridin-1-ium-2-one bromide CAS Name: 1-butyl-3,3-dimethyl-2-pyridin-1-iumone bromide IUPAC Name: 1-butyl-3,3-dimethylpyridin-1-ium-2-one bromide Traditional Name: 1-butyl-3,3-dimethyl-pyridin-1-ium-2-one bromide Formula: C11H18BrNO MolecularWeight: 260.17072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18NO.BrH/c1-4-5-8-12-9-6-7-11(2,3)10(12)13;/h6-7,9H,4-5,8H2,1-3H3;1H/q+1;/p-1