(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2-phenyl-2-thiophen-2-yl-ethanoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-phenyl-2-(2-thienyl)acetate CAS Name: 2-(2-hydroxyethoxy)-2-phenyl-2-thiophen-2-ylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-phenyl-2-thiophen-2-ylacetate Traditional Name: 2-(2-hydroxyethoxy)-2-phenyl-2-(2-thienyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C20H26NO4S+ MolecularWeight: 376.48974

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)OCCO)C

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)OCCO)C

InChI

InChI=1S/C20H26NO4S/c1-21(2)11-10-17(15-21)25-19(23)20(24-13-12-22,18-9-6-14-26-18)16-7-4-3-5-8-16/h3-9,14,17,22H,10-13,15H2,1-2H3/q+1