2-(1,2,2-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: 2-(1,2,2-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 2-(1,2,2-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 2-(1,2,2-trimethyl-1-pyrrolidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1,2,2-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 2-(1,2,2-trimethylpyrrolidin-1-ium-1-yl)ethyl ester bromide Formula: C22H34BrNO3 MolecularWeight: 440.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[N+]1(C)CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

Isomeric SMILES

CC1(CCC[N+]1(C)CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]

InChI

InChI=1S/C22H34NO3.BrH/c1-21(2)14-9-15-23(21,3)16-17-26-20(24)22(25,19-12-7-8-13-19)18-10-5-4-6-11-18;/h4-6,10-11,19,25H,7-9,12-17H2,1-3H3;1H/q+1;/p-1