trimethyl-[4-oxidanyl-4-[4-[1-oxidanyl-4-(trimethylazaniumyl)butyl]phenyl]butyl]azanium diiodide

Systemtic Name: trimethyl-[4-oxidanyl-4-[4-[1-oxidanyl-4-(trimethylazaniumyl)butyl]phenyl]butyl]azanium diiodide Openeye Name: [4-hydroxy-4-[4-[1-hydroxy-4-(trimethylammonio)butyl]phenyl]butyl]-trimethyl-ammonium diiodide CAS Name: [4-hydroxy-4-[4-[1-hydroxy-4-(trimethylammonio)butyl]phenyl]butyl]-trimethylammonium diiodide IUPAC Name: [4-hydroxy-4-[4-[1-hydroxy-4-(trimethylazaniumyl)butyl]phenyl]butyl]-trimethylazanium diiodide Traditional Name: [4-hydroxy-4-[4-[1-hydroxy-4-(trimethylammonio)butyl]phenyl]butyl]-trimethyl-ammonium diiodide Formula: C20H38I2N2O2 MolecularWeight: 592.33686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38N2O2.2HI/c1-21(2,3)15-7-9-19(23)17-11-13-18(14-12-17)20(24)10-8-16-22(4,5)6;;/h11-14,19-20,23-24H,7-10,15-16H2,1-6H3;2*1H/q+2;;/p-2