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

Systemtic Name: [1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate Openeye Name: [1-methyl-1-(3-phenoxypropyl)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-phenoxypropyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(3-phenoxypropyl)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-phenoxypropyl)pyrrolidin-1-ium-3-yl] ester Formula: C26H32NO4S2+ MolecularWeight: 486.66658

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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)CCCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C26H32NO4S2/c1-27(13-7-15-30-21-8-3-2-4-9-21)14-12-22(20-27)31-25(28)26(29,18-23-10-5-16-32-23)19-24-11-6-17-33-24/h2-6,8-11,16-17,22,29H,7,12-15,18-20H2,1H3/q+1