[2,2-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-yl] benzoate chloride

Systemtic Name: [2,2-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-yl] benzoate chloride Openeye Name: (1-benzyl-2,2-dimethyl-piperidin-1-ium-4-yl) benzoate chloride CAS Name: benzoic acid [2,2-dimethyl-1-(phenylmethyl)-4-piperidin-1-iumyl] ester chloride IUPAC Name: (1-benzyl-2,2-dimethylpiperidin-1-ium-4-yl) benzoate chloride Traditional Name: benzoic acid (1-benzyl-2,2-dimethyl-piperidin-1-ium-4-yl) ester chloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC[NH+]1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(CC(CC[NH+]1CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C21H25NO2.ClH/c1-21(2)15-19(24-20(23)18-11-7-4-8-12-18)13-14-22(21)16-17-9-5-3-6-10-17;/h3-12,19H,13-16H2,1-2H3;1H