(1-phenyl-3-piperidin-1-ium-1-yl-propyl) 1-phenylcyclopentane-1-carboxylate chloride

Systemtic Name: (1-phenyl-3-piperidin-1-ium-1-yl-propyl) 1-phenylcyclopentane-1-carboxylate chloride Openeye Name: (1-phenyl-3-piperidin-1-ium-1-yl-propyl) 1-phenylcyclopentanecarboxylate chloride CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [1-phenyl-3-(1-piperidin-1-iumyl)propyl] ester chloride IUPAC Name: (1-phenyl-3-piperidin-1-ium-1-ylpropyl) 1-phenylcyclopentane-1-carboxylate chloride Traditional Name: 1-phenylcyclopentanecarboxylic acid (1-phenyl-3-piperidin-1-ium-1-yl-propyl) ester chloride Formula: C26H34ClNO2 MolecularWeight: 428.00666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(C2=CC=CC=C2)OC(=O)C3(CCCC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(C2=CC=CC=C2)OC(=O)C3(CCCC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H33NO2.ClH/c28-25(26(17-8-9-18-26)23-14-6-2-7-15-23)29-24(22-12-4-1-5-13-22)16-21-27-19-10-3-11-20-27;/h1-2,4-7,12-15,24H,3,8-11,16-21H2;1H