3-(1,6-dimethylpyridin-1-ium-2-yl)butan-2-one

Systemtic Name: 3-(1,6-dimethylpyridin-1-ium-2-yl)butan-2-one Openeye Name: 3-(1,6-dimethylpyridin-1-ium-2-yl)butan-2-one CAS Name: 3-(1,6-dimethyl-2-pyridin-1-iumyl)-2-butanone IUPAC Name: 3-(1,6-dimethylpyridin-1-ium-2-yl)butan-2-one Traditional Name: 3-(1,6-dimethylpyridin-1-ium-2-yl)butan-2-one Formula: C11H16NO+ MolecularWeight: 178.25084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)C(C)C(=O)C)C

Isomeric SMILES

CC1=[N+](C(=CC=C1)C(C)C(=O)C)C

InChI

InChI=1S/C11H16NO/c1-8-6-5-7-11(12(8)4)9(2)10(3)13/h5-7,9H,1-4H3/q+1