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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: (1,1-dimethylpiperidin-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-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-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-dimethylpiperidin-1-ium-2-yl) ester bromide Formula: C18H28BrNO3S MolecularWeight: 418.38882

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1OC(=O)C(C2CCCC2)(C3=CC=CS3)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1OC(=O)C(C2CCCC2)(C3=CC=CS3)O)C.[Br-]

InChI

InChI=1S/C18H28NO3S.BrH/c1-19(2)12-6-5-11-16(19)22-17(20)18(21,14-8-3-4-9-14)15-10-7-13-23-15;/h7,10,13-14,16,21H,3-6,8-9,11-12H2,1-2H3;1H/q+1;/p-1