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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-]

InChI

InChI=1S/C22H27NO3.ClH/c1-23-15-9-10-18(16-23)17-26-21(24)22(25-2,19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h3-8,11-14,18H,9-10,15-17H2,1-2H3;1H