2-piperidin-1-ium-1-ylethyl 2-oxidanyl-2,3-diphenyl-propanoate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-oxidanyl-2,3-diphenyl-propanoate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-hydroxy-2,3-diphenyl-propanoate chloride CAS Name: 2-hydroxy-2,3-diphenylpropanoic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-hydroxy-2,3-diphenylpropanoate chloride Traditional Name: 2-hydroxy-2,3-diphenyl-propionic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H27NO3.ClH/c24-21(26-17-16-23-14-8-3-9-15-23)22(25,20-12-6-2-7-13-20)18-19-10-4-1-5-11-19;/h1-2,4-7,10-13,25H,3,8-9,14-18H2;1H