(1-methylpiperidin-1-ium-3-yl) 2-ethoxy-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-ethoxy-2,2-diphenyl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-ethoxy-2,2-diphenyl-acetate chloride CAS Name: 2-ethoxy-2,2-diphenylacetic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-ethoxy-2,2-diphenylacetate chloride Traditional Name: 2-ethoxy-2,2-diphenyl-acetic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCC[NH+](C3)C.[Cl-]

Isomeric SMILES

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCC[NH+](C3)C.[Cl-]

InChI

InChI=1S/C22H27NO3.ClH/c1-3-25-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)26-20-15-10-16-23(2)17-20;/h4-9,11-14,20H,3,10,15-17H2,1-2H3;1H