3-[[5-(butoxymethyl)-1-benzofuran-2-yl]carbonyloxy]butyl-trimethyl-azanium iodide

Systemtic Name: 3-[[5-(butoxymethyl)-1-benzofuran-2-yl]carbonyloxy]butyl-trimethyl-azanium iodide Openeye Name: 3-[5-(butoxymethyl)benzofuran-2-carbonyl]oxybutyl-trimethyl-ammonium iodide CAS Name: 3-[[5-(butoxymethyl)-2-benzofuranyl]-oxomethoxy]butyl-trimethylammonium iodide IUPAC Name: 3-[5-(butoxymethyl)-1-benzofuran-2-carbonyl]oxybutyl-trimethylazanium iodide Traditional Name: 3-[5-(butoxymethyl)benzofuran-2-carbonyl]oxybutyl-trimethyl-ammonium iodide Formula: C21H32INO4 MolecularWeight: 489.38755

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[N+](C)(C)C.[I-]

Isomeric SMILES

CCCCOCC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[N+](C)(C)C.[I-]

InChI

InChI=1S/C21H32NO4.HI/c1-6-7-12-24-15-17-8-9-19-18(13-17)14-20(26-19)21(23)25-16(2)10-11-22(3,4)5;/h8-9,13-14,16H,6-7,10-12,15H2,1-5H3;1H/q+1;/p-1