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

Systemtic Name: trimethyl-[2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyloxy]propyl]azanium iodide Openeye Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]oxypropyl-trimethyl-ammonium iodide CAS Name: trimethyl-[2-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethoxy]propyl]ammonium iodide IUPAC Name: trimethyl-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxypropyl]azanium iodide Traditional Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]oxypropyl-trimethyl-ammonium iodide Formula: C18H30INO3 MolecularWeight: 435.34017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30NO3.HI/c1-13(2)16-9-8-14(3)10-17(16)21-12-18(20)22-15(4)11-19(5,6)7;/h8-10,13,15H,11-12H2,1-7H3;1H/q+1;/p-1