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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-2-yl) ester bromide Formula: C19H28BrNO3 MolecularWeight: 398.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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