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

Systemtic Name: [1-methyl-1-(3-pyrrol-1-ylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate Openeye Name: [1-methyl-1-(3-pyrrol-1-ylpropyl)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-(1-pyrrolyl)propyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(3-pyrrol-1-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-pyrrol-1-ylpropyl)pyrrolidin-1-ium-3-yl] ester Formula: C24H31N2O3S2+ MolecularWeight: 459.64454

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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)CCCN4C=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCCN4C=CC=C4

InChI

InChI=1S/C24H31N2O3S2/c1-26(13-6-12-25-10-2-3-11-25)14-9-20(19-26)29-23(27)24(28,17-21-7-4-15-30-21)18-22-8-5-16-31-22/h2-5,7-8,10-11,15-16,20,28H,6,9,12-14,17-19H2,1H3/q+1