2-[3,4-bis(oxidanyl)phenyl]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]ethyl-trimethyl-azanium iodide Openeye Name: 2-(3,4-dihydroxyphenyl)ethyl-trimethyl-ammonium iodide CAS Name: 2-(3,4-dihydroxyphenyl)ethyl-trimethylammonium iodide IUPAC Name: 2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium iodide Traditional Name: 2-(3,4-dihydroxyphenyl)ethyl-trimethyl-ammonium iodide Formula: C11H18INO2 MolecularWeight: 323.17059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC1=CC(=C(C=C1)O)O.[I-]

Isomeric SMILES

C[N+](C)(C)CCC1=CC(=C(C=C1)O)O.[I-]

InChI

InChI=1S/C11H17NO2.HI/c1-12(2,3)7-6-9-4-5-10(13)11(14)8-9;/h4-5,8H,6-7H2,1-3H3,(H-,13,14);1H