1-(1-methylpyridin-1-ium-3-yl)butane-1,3-dione

Systemtic Name: 1-(1-methylpyridin-1-ium-3-yl)butane-1,3-dione Openeye Name: 1-(1-methylpyridin-1-ium-3-yl)butane-1,3-dione CAS Name: 1-(1-methyl-3-pyridin-1-iumyl)butane-1,3-dione IUPAC Name: 1-(1-methylpyridin-1-ium-3-yl)butane-1,3-dione Traditional Name: 1-(1-methylpyridin-1-ium-3-yl)butane-1,3-dione Formula: C10H12NO2+ MolecularWeight: 178.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C[N+](=CC=C1)C

Isomeric SMILES

CC(=O)CC(=O)C1=C[N+](=CC=C1)C

InChI

InChI=1S/C10H12NO2/c1-8(12)6-10(13)9-4-3-5-11(2)7-9/h3-5,7H,6H2,1-2H3/q+1