(1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-methyl-4-piperidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-methylpiperidin-1-ium-4-yl)methyl ester chloride Formula: C20H30ClNO3 MolecularWeight: 367.9101

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H29NO3.ClH/c1-21-13-11-16(12-14-21)15-24-19(22)20(23,18-9-5-6-10-18)17-7-3-2-4-8-17;/h2-4,7-8,16,18,23H,5-6,9-15H2,1H3;1H