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

Systemtic Name: [1-methyl-1-(3-thiophen-2-ylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate bromide Openeye Name: [1-methyl-1-[3-(2-thienyl)propyl]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 [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-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate bromide Traditional Name: 2-hydroxy-2-(2-thenyl)-3-(2-thienyl)propionic acid [1-methyl-1-[3-(2-thienyl)propyl]pyrrolidin-1-ium-3-yl] ester bromide Formula: C24H30BrNO3S3 MolecularWeight: 556.5989

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCCC4=CC=CS4.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCCC4=CC=CS4.[Br-]

InChI

InChI=1S/C24H30NO3S3.BrH/c1-25(11-2-6-20-7-3-13-29-20)12-10-19(18-25)28-23(26)24(27,16-21-8-4-14-30-21)17-22-9-5-15-31-22;/h3-5,7-9,13-15,19,27H,2,6,10-12,16-18H2,1H3;1H/q+1;/p-1