3,3-dimethyl-1-(3-phenyl-1-propyl-piperidin-1-ium-1-yl)butane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-(3-phenyl-1-propyl-piperidin-1-ium-1-yl)butane-1,2-dione Openeye Name: 3,3-dimethyl-1-(3-phenyl-1-propyl-piperidin-1-ium-1-yl)butane-1,2-dione CAS Name: 3,3-dimethyl-1-(3-phenyl-1-propyl-1-piperidin-1-iumyl)butane-1,2-dione IUPAC Name: 3,3-dimethyl-1-(3-phenyl-1-propylpiperidin-1-ium-1-yl)butane-1,2-dione Traditional Name: 3,3-dimethyl-1-(3-phenyl-1-propyl-piperidin-1-ium-1-yl)butane-1,2-dione Formula: C20H30NO2+ MolecularWeight: 316.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCC(C1)C2=CC=CC=C2)C(=O)C(=O)C(C)(C)C

Isomeric SMILES

CCC[N+]1(CCCC(C1)C2=CC=CC=C2)C(=O)C(=O)C(C)(C)C

InChI

InChI=1S/C20H30NO2/c1-5-13-21(19(23)18(22)20(2,3)4)14-9-12-17(15-21)16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3/q+1