(1-methylpiperidin-1-ium-4-yl) 2-oxidanyl-2,3-diphenyl-propanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-oxidanyl-2,3-diphenyl-propanoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenyl-propanoate chloride CAS Name: 2-hydroxy-2,3-diphenylpropanoic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride Traditional Name: 2-hydroxy-2,3-diphenyl-propionic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3.ClH/c1-22-14-12-19(13-15-22)25-20(23)21(24,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;/h2-11,19,24H,12-16H2,1H3;1H