[1-methyl-1-(3-thiophen-2-ylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide

Systemtic Name: [1-methyl-1-(3-thiophen-2-ylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide Openeye Name: [1-methyl-1-[3-(2-thienyl)propyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-methyl-1-(3-thiophen-2-ylpropyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [1-methyl-1-(3-thiophen-2-ylpropyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-methyl-1-[3-(2-thienyl)propyl]pyrrolidin-1-ium-3-yl] ester bromide Formula: C22H26BrNO3S3 MolecularWeight: 528.54574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCC4=CC=CS4.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCC4=CC=CS4.[Br-]

InChI

InChI=1S/C22H26NO3S3.BrH/c1-23(11-2-6-18-7-3-13-27-18)12-10-17(16-23)26-21(24)22(25,19-8-4-14-28-19)20-9-5-15-29-20;/h3-5,7-9,13-15,17,25H,2,6,10-12,16H2,1H3;1H/q+1;/p-1