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

Systemtic Name: trimethyl-[[5-methyl-2-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium diiodide Openeye Name: [2-hydroxy-5-methyl-3-[(trimethylammonio)methyl]phenyl]methyl-trimethyl-ammonium diiodide CAS Name: [2-hydroxy-5-methyl-3-[(trimethylammonio)methyl]phenyl]methyl-trimethylammonium diiodide IUPAC Name: [2-hydroxy-5-methyl-3-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium diiodide Traditional Name: [2-hydroxy-5-methyl-3-[(trimethylammonio)methyl]benzyl]-trimethyl-ammonium diiodide Formula: C15H28I2N2O MolecularWeight: 506.20456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N2O.2HI/c1-12-8-13(10-16(2,3)4)15(18)14(9-12)11-17(5,6)7;;/h8-9H,10-11H2,1-7H3;2*1H/q+1;;/p-1