pyridin-1-ium-2-ylmethyl 3-phenyl-2-(phenylmethyl)propanoate chloride

Systemtic Name: pyridin-1-ium-2-ylmethyl 3-phenyl-2-(phenylmethyl)propanoate chloride Openeye Name: pyridin-1-ium-2-ylmethyl 2-benzyl-3-phenyl-propanoate chloride CAS Name: 3-phenyl-2-(phenylmethyl)propanoic acid 2-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-2-ylmethyl 2-benzyl-3-phenylpropanoate chloride Traditional Name: 2-benzyl-3-phenyl-propionic acid pyridin-1-ium-2-ylmethyl ester chloride Formula: C22H22ClNO2 MolecularWeight: 367.86858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=[NH+]3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=[NH+]3.[Cl-]

InChI

InChI=1S/C22H21NO2.ClH/c24-22(25-17-21-13-7-8-14-23-21)20(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19;/h1-14,20H,15-17H2;1H