(E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methyl-pent-1-en-3-one

Systemtic Name: (E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methyl-pent-1-en-3-one Openeye Name: (E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methyl-pent-1-en-3-one CAS Name: (E)-1-(1,1-dimethyl-2-piperidin-1-iumyl)-2-methyl-1-penten-3-one IUPAC Name: (E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methylpent-1-en-3-one Traditional Name: (E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methyl-pent-1-en-3-one Formula: C13H24NO+ MolecularWeight: 210.33576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1CCCC[N+]1(C)C)C

Isomeric SMILES

CCC(=O)/C(=C/C1CCCC[N+]1(C)C)/C

InChI

InChI=1S/C13H24NO/c1-5-13(15)11(2)10-12-8-6-7-9-14(12,3)4/h10,12H,5-9H2,1-4H3/q+1/b11-10+