3-pyridin-1-ium-4-ylpropyl 2,2-diphenylethanoate chloride

Systemtic Name: 3-pyridin-1-ium-4-ylpropyl 2,2-diphenylethanoate chloride Openeye Name: 3-pyridin-1-ium-4-ylpropyl 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid 3-(4-pyridin-1-iumyl)propyl ester chloride IUPAC Name: 3-pyridin-1-ium-4-ylpropyl 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid 3-pyridin-1-ium-4-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=[NH+]C=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCCC3=CC=[NH+]C=C3.[Cl-]

InChI

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