[(3R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate bromide

Systemtic Name: [(3R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate bromide Openeye Name: [(3R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] 2-hydroxy-3-(2-thienyl)-2-(2-thienylmethyl)propanoate bromide CAS Name: 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoic acid [(3R)-1-methyl-1-phenethyl-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [(3R)-1-methyl-1-phenethylpyrrolidin-1-ium-3-yl] 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate bromide Traditional Name: 2-hydroxy-2-(2-thenyl)-3-(2-thienyl)propionic acid [(3R)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C25H30BrNO3S2 MolecularWeight: 536.5446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H30NO3S2.BrH/c1-26(13-11-20-7-3-2-4-8-20)14-12-21(19-26)29-24(27)25(28,17-22-9-5-15-30-22)18-23-10-6-16-31-23;/h2-10,15-16,21,28H,11-14,17-19H2,1H3;1H/q+1;/p-1/t21-,26?;/m1./s1