dimethyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-propan-2-yl-azanium iodide

Systemtic Name: dimethyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-propan-2-yl-azanium iodide Openeye Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-isopropyl-dimethyl-ammonium iodide CAS Name: [2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylammonium iodide IUPAC Name: [2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium iodide Traditional Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-isopropyl-dimethyl-ammonium iodide Formula: C17H28INO2 MolecularWeight: 405.31419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C)CC(COC1=CC=CC=C1CC=C)O.[I-]

Isomeric SMILES

CC(C)[N+](C)(C)CC(COC1=CC=CC=C1CC=C)O.[I-]

InChI

InChI=1S/C17H28NO2.HI/c1-6-9-15-10-7-8-11-17(15)20-13-16(19)12-18(4,5)14(2)3;/h6-8,10-11,14,16,19H,1,9,12-13H2,2-5H3;1H/q+1;/p-1