diethyl-methyl-[3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyloxy]propyl]azanium iodide

Systemtic Name: diethyl-methyl-[3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyloxy]propyl]azanium iodide Openeye Name: diethyl-[3-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]oxypropyl]-methyl-ammonium iodide CAS Name: diethyl-methyl-[3-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethoxy]propyl]ammonium iodide IUPAC Name: diethyl-methyl-[3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium iodide Traditional Name: diethyl-[3-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]oxypropyl]-methyl-ammonium iodide Formula: C20H34INO3 MolecularWeight: 463.39333

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCOC(=O)COC1=C(C=CC(=C1)C)C(C)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCOC(=O)COC1=C(C=CC(=C1)C)C(C)C.[I-]

InChI

InChI=1S/C20H34NO3.HI/c1-7-21(6,8-2)12-9-13-23-20(22)15-24-19-14-17(5)10-11-18(19)16(3)4;/h10-11,14,16H,7-9,12-13,15H2,1-6H3;1H/q+1;/p-1