[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 2-phenoxypropanoate iodide

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 2-phenoxypropanoate iodide Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 2-phenoxypropanoate iodide CAS Name: 2-phenoxypropanoic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester iodide IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] 2-phenoxypropanoate iodide Traditional Name: 2-phenoxypropionic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester iodide Formula: C22H28INO3 MolecularWeight: 481.36709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C[N+]1(CCCC1)C)C2=CC=CC=C2)OC3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C(=O)OC(C[N+]1(CCCC1)C)C2=CC=CC=C2)OC3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H28NO3.HI/c1-18(25-20-13-7-4-8-14-20)22(24)26-21(19-11-5-3-6-12-19)17-23(2)15-9-10-16-23;/h3-8,11-14,18,21H,9-10,15-17H2,1-2H3;1H/q+1;/p-1