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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-oxidanylpropoxy)-2,2-dithiophen-2-yl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-hydroxypropoxy)-2,2-bis(2-thienyl)acetate bromide CAS Name: 2-(3-hydroxypropoxy)-2,2-dithiophen-2-ylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-hydroxypropoxy)-2,2-dithiophen-2-ylacetate bromide Traditional Name: 2-(3-hydroxypropoxy)-2,2-bis(2-thienyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C19H26BrNO4S2 MolecularWeight: 476.44804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCCO)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCCO)C.[Br-]

InChI

InChI=1S/C19H26NO4S2.BrH/c1-20(2)9-8-15(14-20)24-18(22)19(23-11-5-10-21,16-6-3-12-25-16)17-7-4-13-26-17;/h3-4,6-7,12-13,15,21H,5,8-11,14H2,1-2H3;1H/q+1;/p-1