(2,2,6-trimethylpiperidin-1-ium-4-yl) benzoate chloride

Systemtic Name: (2,2,6-trimethylpiperidin-1-ium-4-yl) benzoate chloride Openeye Name: (2,2,6-trimethylpiperidin-1-ium-4-yl) benzoate chloride CAS Name: benzoic acid (2,2,6-trimethyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (2,2,6-trimethylpiperidin-1-ium-4-yl) benzoate chloride Traditional Name: benzoic acid (2,2,6-trimethylpiperidin-1-ium-4-yl) ester chloride Formula: C15H22ClNO2 MolecularWeight: 283.79368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC([NH2+]1)(C)C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CC(CC([NH2+]1)(C)C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H21NO2.ClH/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12;/h4-8,11,13,16H,9-10H2,1-3H3;1H