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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl)methyl ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl ester bromide Formula: C21H32BrNO3 MolecularWeight: 426.38768

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCCC1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-]

InChI

InChI=1S/C21H32NO3.BrH/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-19,24H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1