(1-phenethylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate chloride

Systemtic Name: (1-phenethylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate chloride Openeye Name: (1-phenethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid (1-phenethyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-phenethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid (1-phenethylpiperidin-1-ium-4-yl) ester chloride Formula: C27H30ClNO2 MolecularWeight: 435.9856

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H29NO2.ClH/c29-27(26(23-12-6-2-7-13-23)24-14-8-3-9-15-24)30-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22;/h1-15,25-26H,16-21H2;1H