(4-methylphenyl)-(1-methylpyridin-1-ium-3-yl)methanone bromide

Systemtic Name: (4-methylphenyl)-(1-methylpyridin-1-ium-3-yl)methanone bromide Openeye Name: (1-methylpyridin-1-ium-3-yl)-(p-tolyl)methanone bromide CAS Name: (4-methylphenyl)-(1-methyl-3-pyridin-1-iumyl)methanone bromide IUPAC Name: (4-methylphenyl)-(1-methylpyridin-1-ium-3-yl)methanone bromide Traditional Name: (1-methylpyridin-1-ium-3-yl)-(p-tolyl)methanone bromide Formula: C14H14BrNO MolecularWeight: 292.17106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)C.[Br-]

InChI

InChI=1S/C14H14NO.BrH/c1-11-5-7-12(8-6-11)14(16)13-4-3-9-15(2)10-13;/h3-10H,1-2H3;1H/q+1;/p-1