trimethyl-[4-[2-oxidanyl-4-[4-(trimethylazaniumyl)phenyl]butyl]phenyl]azanium diiodide

Systemtic Name: trimethyl-[4-[2-oxidanyl-4-[4-(trimethylazaniumyl)phenyl]butyl]phenyl]azanium diiodide Openeye Name: [4-[2-hydroxy-4-[4-(trimethylammonio)phenyl]butyl]phenyl]-trimethyl-ammonium diiodide CAS Name: [4-[2-hydroxy-4-[4-(trimethylammonio)phenyl]butyl]phenyl]-trimethylammonium diiodide IUPAC Name: [4-[2-hydroxy-4-[4-(trimethylazaniumyl)phenyl]butyl]phenyl]-trimethylazanium diiodide Traditional Name: [4-[2-hydroxy-4-[4-(trimethylammonio)phenyl]butyl]phenyl]-trimethyl-ammonium diiodide Formula: C22H34I2N2O MolecularWeight: 596.3271

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CCC(CC2=CC=C(C=C2)[N+](C)(C)C)O.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CCC(CC2=CC=C(C=C2)[N+](C)(C)C)O.[I-].[I-]

InChI

InChI=1S/C22H34N2O.2HI/c1-23(2,3)20-12-7-18(8-13-20)11-16-22(25)17-19-9-14-21(15-10-19)24(4,5)6;;/h7-10,12-15,22,25H,11,16-17H2,1-6H3;2*1H/q+2;;/p-2