2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide

Systemtic Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide Openeye Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide CAS Name: 3,4,5-trimethoxybenzoic acid 2-(1-ethyl-1-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl ester iodide Formula: C18H28INO5 MolecularWeight: 465.32309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28NO5.HI/c1-5-19(8-6-7-9-19)10-11-24-18(20)14-12-15(21-2)17(23-4)16(13-14)22-3;/h12-13H,5-11H2,1-4H3;1H/q+1;/p-1