(1-butyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: (1-butyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1-butyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-butyl-1-methyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1-butyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-butyl-1-methyl-pyrrolidin-1-ium-3-yl) ester bromide Formula: C22H34BrNO3 MolecularWeight: 440.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34NO3.BrH/c1-3-4-15-23(2)16-14-20(17-23)26-21(24)22(25,19-12-8-9-13-19)18-10-6-5-7-11-18;/h5-7,10-11,19-20,25H,3-4,8-9,12-17H2,1-2H3;1H/q+1;/p-1