2-piperidin-1-ium-1-ylethyl 2-oxidanyl-3-phenyl-2-(phenylmethyl)propanoate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-oxidanyl-3-phenyl-2-(phenylmethyl)propanoate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-benzyl-2-hydroxy-3-phenyl-propanoate chloride CAS Name: 2-hydroxy-3-phenyl-2-(phenylmethyl)propanoic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-benzyl-2-hydroxy-3-phenylpropanoate chloride Traditional Name: 2-benzyl-2-hydroxy-3-phenyl-propionic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H29NO3.ClH/c25-22(27-17-16-24-14-8-3-9-15-24)23(26,18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21;/h1-2,4-7,10-13,26H,3,8-9,14-19H2;1H