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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(furan-2-yl)-2-(3-oxidanylpropoxy)ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(2-furyl)-2-(3-hydroxypropoxy)acetate bromide CAS Name: 2,2-bis(2-furanyl)-2-(3-hydroxypropoxy)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-(3-hydroxypropoxy)acetate bromide Traditional Name: 2,2-bis(2-furyl)-2-(3-hydroxypropoxy)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C19H26BrNO6 MolecularWeight: 444.31684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26NO6.BrH/c1-20(2)9-8-15(14-20)26-18(22)19(25-13-5-10-21,16-6-3-11-23-16)17-7-4-12-24-17;/h3-4,6-7,11-12,15,21H,5,8-10,13-14H2,1-2H3;1H/q+1;/p-1