(1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1-methyl-3-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (1-methylpyrrolidin-1-ium-3-yl)methyl ester chloride Formula: C20H30ClNO3 MolecularWeight: 367.9101

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCC(C1)COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

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