diethyl-methyl-[2-[[5-(2-methylpropoxymethyl)-1-benzofuran-2-yl]carbonyloxy]ethyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-[[5-(2-methylpropoxymethyl)-1-benzofuran-2-yl]carbonyloxy]ethyl]azanium iodide Openeye Name: diethyl-[2-[5-(isobutoxymethyl)benzofuran-2-carbonyl]oxyethyl]-methyl-ammonium iodide CAS Name: diethyl-methyl-[2-[[5-(2-methylpropoxymethyl)-2-benzofuranyl]-oxomethoxy]ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[2-[5-(2-methylpropoxymethyl)-1-benzofuran-2-carbonyl]oxyethyl]azanium iodide Traditional Name: diethyl-[2-[5-(isobutoxymethyl)benzofuran-2-carbonyl]oxyethyl]-methyl-ammonium iodide Formula: C21H32INO4 MolecularWeight: 489.38755

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C1=CC2=C(O1)C=CC(=C2)COCC(C)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C1=CC2=C(O1)C=CC(=C2)COCC(C)C.[I-]

InChI

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