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

Systemtic Name: [(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3S)-1-methyl-1-phenethyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3S)-1-methyl-1-phenethylpyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3S)-1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl] ester Formula: C23H26NO3S2+ MolecularWeight: 428.58744

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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)CCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC[C@@H](C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26NO3S2/c1-24(13-11-18-7-3-2-4-8-18)14-12-19(17-24)27-22(25)23(26,20-9-5-15-28-20)21-10-6-16-29-21/h2-10,15-16,19,26H,11-14,17H2,1H3/q+1/t19-,24?/m0/s1