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

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 Openeye Name: [1-methyl-1-[3-(2-thienyl)propyl]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-(3-thiophen-2-ylpropyl)-3-pyrrolidin-1-iumyl] ester 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 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 Formula: C24H30NO3S3+ MolecularWeight: 476.6949

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO3S3/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/q+1