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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(furan-2-yl)-2-(4-oxidanylbutoxy)ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(2-furyl)-2-(4-hydroxybutoxy)acetate CAS Name: 2,2-bis(2-furanyl)-2-(4-hydroxybutoxy)acetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-bis(furan-2-yl)-2-(4-hydroxybutoxy)acetate Traditional Name: 2,2-bis(2-furyl)-2-(4-hydroxybutoxy)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C20H28NO6+ MolecularWeight: 378.43942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28NO6/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/q+1