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

Systemtic Name: [1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate bromide Openeye Name: [1-methyl-1-(3-phenoxypropyl)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-phenoxypropyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [1-methyl-1-(3-phenoxypropyl)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-phenoxypropyl)pyrrolidin-1-ium-3-yl] ester bromide Formula: C26H32BrNO4S2 MolecularWeight: 566.57058

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C26H32NO4S2.BrH/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;1H/q+1;/p-1