3-pyridin-1-ium-2-ylpropyl 2,2-diphenylethanoate chloride

Systemtic Name: 3-pyridin-1-ium-2-ylpropyl 2,2-diphenylethanoate chloride Openeye Name: 3-pyridin-1-ium-2-ylpropyl 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid 3-(2-pyridin-1-iumyl)propyl ester chloride IUPAC Name: 3-pyridin-1-ium-2-ylpropyl 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid 3-pyridin-1-ium-2-ylpropyl ester chloride Formula: C22H22ClNO2 MolecularWeight: 367.86858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCCC3=CC=CC=[NH+]3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCCC3=CC=CC=[NH+]3.[Cl-]

InChI

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