(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C18H22NO3S+ MolecularWeight: 332.43718

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C

InChI

InChI=1S/C18H22NO3S/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14/h3-9,12,15,21H,10-11,13H2,1-2H3/q+1