(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenyl-ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C19H28BrNO2 MolecularWeight: 382.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28NO2.BrH/c1-20(2)13-12-17(14-20)22-19(21)18(16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-18H,6-7,10-14H2,1-2H3;1H/q+1;/p-1