(1,1,4-trimethyl-3-phenyl-pyrrolidin-1-ium-3-yl) propanoate iodide

Systemtic Name: (1,1,4-trimethyl-3-phenyl-pyrrolidin-1-ium-3-yl) propanoate iodide Openeye Name: (1,1,4-trimethyl-3-phenyl-pyrrolidin-1-ium-3-yl) propanoate iodide CAS Name: propanoic acid (1,1,4-trimethyl-3-phenyl-3-pyrrolidin-1-iumyl) ester iodide IUPAC Name: (1,1,4-trimethyl-3-phenylpyrrolidin-1-ium-3-yl) propanoate iodide Traditional Name: propionic acid (1,1,4-trimethyl-3-phenyl-pyrrolidin-1-ium-3-yl) ester iodide Formula: C16H24INO2 MolecularWeight: 389.27173

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C[N+](CC1C)(C)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCC(=O)OC1(C[N+](CC1C)(C)C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H24NO2.HI/c1-5-15(18)19-16(14-9-7-6-8-10-14)12-17(3,4)11-13(16)2;/h6-10,13H,5,11-12H2,1-4H3;1H/q+1;/p-1