(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2-phenyl-2-(1H-pyrrol-2-yl)ethanoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2-phenyl-2-(1H-pyrrol-2-yl)ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-phenyl-2-(1H-pyrrol-2-yl)acetate CAS Name: 2-(2-hydroxyethoxy)-2-phenyl-2-(1H-pyrrol-2-yl)acetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-phenyl-2-(1H-pyrrol-2-yl)acetate Traditional Name: 2-(2-hydroxyethoxy)-2-phenyl-2-(1H-pyrrol-2-yl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CN3)OCCO)C

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CN3)OCCO)C

InChI

InChI=1S/C20H27N2O4/c1-22(2)12-10-17(15-22)26-19(24)20(25-14-13-23,18-9-6-11-21-18)16-7-4-3-5-8-16/h3-9,11,17,21,23H,10,12-15H2,1-2H3/q+1