2-piperidin-1-ium-1-ylethyl 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-(1-hydroxycyclopentyl)-2-phenyl-acetate chloride CAS Name: 2-(1-hydroxycyclopentyl)-2-phenylacetic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride Traditional Name: 2-(1-hydroxycyclopentyl)-2-phenyl-acetic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C20H30ClNO3 MolecularWeight: 367.9101

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCCC3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCCC3)O.[Cl-]

InChI

InChI=1S/C20H29NO3.ClH/c22-19(24-16-15-21-13-7-2-8-14-21)18(17-9-3-1-4-10-17)20(23)11-5-6-12-20;/h1,3-4,9-10,18,23H,2,5-8,11-16H2;1H