[1-methyl-1-(4-oxidanylidene-4-thiophen-2-yl-butyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate

Systemtic Name: [1-methyl-1-(4-oxidanylidene-4-thiophen-2-yl-butyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate Openeye Name: [1-methyl-1-[4-oxo-4-(2-thienyl)butyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-3-(2-thienyl)-2-(2-thienylmethyl)propanoate CAS Name: 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoic acid [1-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate Traditional Name: 2-hydroxy-2-(2-thenyl)-3-(2-thienyl)propionic acid [1-[4-keto-4-(2-thienyl)butyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C25H30NO4S3+ MolecularWeight: 504.705

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)CCCC(=O)C4=CC=CS4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCCC(=O)C4=CC=CS4

InChI

InChI=1S/C25H30NO4S3/c1-26(11-2-8-22(27)23-9-5-15-33-23)12-10-19(18-26)30-24(28)25(29,16-20-6-3-13-31-20)17-21-7-4-14-32-21/h3-7,9,13-15,19,29H,2,8,10-12,16-18H2,1H3/q+1