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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(furan-2-yl)-2-(3-oxidanylpropoxy)-2-phenyl-ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-furyl)-2-(3-hydroxypropoxy)-2-phenyl-acetate CAS Name: 2-(2-furanyl)-2-(3-hydroxypropoxy)-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(furan-2-yl)-2-(3-hydroxypropoxy)-2-phenylacetate Traditional Name: 2-(2-furyl)-2-(3-hydroxypropoxy)-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO5/c1-22(2)12-11-18(16-22)27-20(24)21(26-15-7-13-23,19-10-6-14-25-19)17-8-4-3-5-9-17/h3-6,8-10,14,18,23H,7,11-13,15-16H2,1-2H3/q+1