3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethanoate iodide

Systemtic Name: 3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethanoate iodide Openeye Name: 3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide CAS Name: 2-(1-methyl-1-pyrrolidin-1-iumyl)acetic acid 3-phenylpropyl ester iodide IUPAC Name: 3-phenylpropyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)acetic acid 3-phenylpropyl ester iodide Formula: C16H24INO2 MolecularWeight: 389.27173

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(=O)OCCCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CC(=O)OCCCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H24NO2.HI/c1-17(11-5-6-12-17)14-16(18)19-13-7-10-15-8-3-2-4-9-15;/h2-4,8-9H,5-7,10-14H2,1H3;1H/q+1;/p-1