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

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3.ClH/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18,23H,12-15H2,1H3;1H