(1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenyl-acetate chloride CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-methyl-4-piperidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenylacetate chloride Traditional Name: 2-methoxy-2,2-diphenyl-acetic acid (1-methylpiperidin-1-ium-4-yl)methyl ester chloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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