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

Systemtic Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide Openeye Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide CAS Name: 3,4,5-trimethoxybenzoic acid 2-(1-ethyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(1-ethylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C19H30INO5 MolecularWeight: 479.34967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)CCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[I-]

InChI

InChI=1S/C19H30NO5.HI/c1-5-20(9-7-6-8-10-20)11-12-25-19(21)15-13-16(22-2)18(24-4)17(14-15)23-3;/h13-14H,5-12H2,1-4H3;1H/q+1;/p-1