trimethyl-[[2-oxidanyl-5-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]phenyl]methyl]azanium iodide

Systemtic Name: trimethyl-[[2-oxidanyl-5-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]phenyl]methyl]azanium iodide Openeye Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]phenyl]methyl-trimethyl-ammonium iodide CAS Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]phenyl]methyl-trimethylammonium iodide IUPAC Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylazaniumyl)methyl]phenyl]phenyl]methyl-trimethylazanium iodide Traditional Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]benzyl]-trimethyl-ammonium iodide Formula: C20H30IN2O2+ MolecularWeight: 457.36887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC(=C1)C2=CC(=C(C=C2)O)C[N+](C)(C)C)O.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC(=C1)C2=CC(=C(C=C2)O)C[N+](C)(C)C)O.[I-]

InChI

InChI=1S/C20H28N2O2.HI/c1-21(2,3)13-17-11-15(7-9-19(17)23)16-8-10-20(24)18(12-16)14-22(4,5)6;/h7-12H,13-14H2,1-6H3;1H/p+1