(2E)-3-methyl-2-prop-2-enylidene-1,3-benzoxazole; trimethyl(propyl)azanium; diiodide

Systemtic Name: (2E)-3-methyl-2-prop-2-enylidene-1,3-benzoxazole; trimethyl(propyl)azanium; diiodide Openeye Name: (2E)-2-allylidene-3-methyl-1,3-benzoxazole; trimethyl(propyl)ammonium; diiodide CAS Name: (2E)-3-methyl-2-prop-2-enylidene-1,3-benzoxazole; trimethyl(propyl)ammonium; diiodide IUPAC Name: (2E)-3-methyl-2-prop-2-enylidene-1,3-benzoxazole; trimethyl(propyl)azanium; diiodide Traditional Name: (2E)-2-allylidene-3-methyl-1,3-benzoxazole; trimethyl(propyl)ammonium; diiodide Formula: C17H27I2N2O- MolecularWeight: 529.21802

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C.CN1C2=CC=CC=C2OC1=CC=C.[I-].[I-]

Isomeric SMILES

CCC[N+](C)(C)C.CN\1C2=CC=CC=C2O/C1=C/C=C.[I-].[I-]

InChI

InChI=1S/C11H11NO.C6H16N.2HI/c1-3-6-11-12(2)9-7-4-5-8-10(9)13-11;1-5-6-7(2,3)4;;/h3-8H,1H2,2H3;5-6H2,1-4H3;2*1H/q;+1;;/p-2/b11-6+;;;