trimethyl-[4-(1-oxidanylbuta-2,3-dienyl)phenyl]azanium iodide

Systemtic Name: trimethyl-[4-(1-oxidanylbuta-2,3-dienyl)phenyl]azanium iodide Openeye Name: [4-(1-hydroxybuta-2,3-dienyl)phenyl]-trimethyl-ammonium iodide CAS Name: [4-(1-hydroxybuta-2,3-dienyl)phenyl]-trimethylammonium iodide IUPAC Name: [4-(1-hydroxybuta-2,3-dienyl)phenyl]-trimethylazanium iodide Traditional Name: [4-(1-hydroxybuta-2,3-dienyl)phenyl]-trimethyl-ammonium iodide Formula: C13H18INO MolecularWeight: 331.19259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO.HI/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4;/h6-10,13,15H,1H2,2-4H3;1H/q+1;/p-1