(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; methanesulfonate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; methanesulfonate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; methanesulfonate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester; methanesulfonate IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate; methanesulfonate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester mesylate Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H28NO3.CH4O3S/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;1-5(2,3)4/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1