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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2,2-dithiophen-2-yl-ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2,2-bis(2-thienyl)acetate CAS Name: 2-(2-hydroxyethoxy)-2,2-dithiophen-2-ylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2,2-dithiophen-2-ylacetate Traditional Name: 2-(2-hydroxyethoxy)-2,2-bis(2-thienyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C18H24NO4S2+ MolecularWeight: 382.51746

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCO)C

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCO)C

InChI

InChI=1S/C18H24NO4S2/c1-19(2)8-7-14(13-19)23-17(21)18(22-10-9-20,15-5-3-11-24-15)16-6-4-12-25-16/h3-6,11-12,14,20H,7-10,13H2,1-2H3/q+1