3-(1-methylpiperidin-1-ium-1-yl)propyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate iodide

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate iodide Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-(2-isopropyl-5-methyl-phenoxy)acetate iodide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid 3-(1-methyl-1-piperidin-1-iumyl)propyl ester iodide IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate iodide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid 3-(1-methylpiperidin-1-ium-1-yl)propyl ester iodide Formula: C21H34INO3 MolecularWeight: 475.40403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCCC[N+]2(CCCCC2)C.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCCC[N+]2(CCCCC2)C.[I-]

InChI

InChI=1S/C21H34NO3.HI/c1-17(2)19-10-9-18(3)15-20(19)25-16-21(23)24-14-8-13-22(4)11-6-5-7-12-22;/h9-10,15,17H,5-8,11-14,16H2,1-4H3;1H/q+1;/p-1