(1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(furan-2-yl)-2-(4-oxidanylbutoxy)ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(furan-2-yl)-2-(4-oxidanylbutoxy)ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(2-furyl)-2-(4-hydroxybutoxy)acetate bromide CAS Name: 2,2-bis(2-furanyl)-2-(4-hydroxybutoxy)acetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(furan-2-yl)-2-(4-hydroxybutoxy)acetate bromide Traditional Name: 2,2-bis(2-furyl)-2-(4-hydroxybutoxy)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C20H28BrNO6 MolecularWeight: 458.34342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CO2)(C3=CC=CO3)OCCCCO)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CO2)(C3=CC=CO3)OCCCCO)C.[Br-]

InChI

InChI=1S/C20H28NO6.BrH/c1-21(2)10-9-16(15-21)27-19(23)20(17-7-5-12-24-17,18-8-6-13-25-18)26-14-4-3-11-22;/h5-8,12-13,16,22H,3-4,9-11,14-15H2,1-2H3;1H/q+1;/p-1