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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1,1-dimethylpiperidin-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-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpiperidin-1-ium-2-yl) ester bromide Formula: C20H30BrNO3 MolecularWeight: 412.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO3.BrH/c1-21(2)15-9-8-14-18(21)24-19(22)20(23,17-12-6-7-13-17)16-10-4-3-5-11-16;/h3-5,10-11,17-18,23H,6-9,12-15H2,1-2H3;1H/q+1;/p-1