[1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide

Systemtic Name: [1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide Openeye Name: [1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-methyl-1-(2-phenoxyethyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-methyl-1-(2-phenoxyethyl)pyrrolidin-1-ium-3-yl] ester bromide Formula: C23H26BrNO4S2 MolecularWeight: 524.49084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCOC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCOC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H26NO4S2.BrH/c1-24(13-14-27-18-7-3-2-4-8-18)12-11-19(17-24)28-22(25)23(26,20-9-5-15-29-20)21-10-6-16-30-21;/h2-10,15-16,19,26H,11-14,17H2,1H3;1H/q+1;/p-1