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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-cyclohexyl-2-oxidanyl-phenyl)ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-cyclohexyl-2-hydroxy-phenyl)acetate bromide CAS Name: 2-(3-cyclohexyl-2-hydroxyphenyl)acetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-cyclohexyl-2-hydroxyphenyl)acetate bromide Traditional Name: 2-(3-cyclohexyl-2-hydroxy-phenyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C20H30BrNO3 MolecularWeight: 412.3611

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)CC2=CC=CC(=C2O)C3CCCCC3)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)CC2=CC=CC(=C2O)C3CCCCC3)C.[Br-]

InChI

InChI=1S/C20H29NO3.BrH/c1-21(2)12-11-17(14-21)24-19(22)13-16-9-6-10-18(20(16)23)15-7-4-3-5-8-15;/h6,9-10,15,17H,3-5,7-8,11-14H2,1-2H3;1H