(1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-2-yl) ester bromide Formula: C17H26BrNO3S MolecularWeight: 404.36224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1OC(=O)C(C2CCCC2)(C3=CC=CS3)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCCC1OC(=O)C(C2CCCC2)(C3=CC=CS3)O)C.[Br-]

InChI

InChI=1S/C17H26NO3S.BrH/c1-18(2)11-5-10-15(18)21-16(19)17(20,13-7-3-4-8-13)14-9-6-12-22-14;/h6,9,12-13,15,20H,3-5,7-8,10-11H2,1-2H3;1H/q+1;/p-1