(2-phenyl-2-piperidin-1-ium-1-yl-ethyl) 2,2-diphenylethanoate chloride

Systemtic Name: (2-phenyl-2-piperidin-1-ium-1-yl-ethyl) 2,2-diphenylethanoate chloride Openeye Name: (2-phenyl-2-piperidin-1-ium-1-yl-ethyl) 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid [2-phenyl-2-(1-piperidin-1-iumyl)ethyl] ester chloride IUPAC Name: (2-phenyl-2-piperidin-1-ium-1-ylethyl) 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid (2-phenyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C27H30ClNO2 MolecularWeight: 435.9856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

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