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

Systemtic Name: trimethyl-[4-[2-nitro-4-[4-(trimethylazaniumyl)butyl]phenyl]butyl]azanium diiodide Openeye Name: trimethyl-[4-[2-nitro-4-[4-(trimethylammonio)butyl]phenyl]butyl]ammonium diiodide CAS Name: trimethyl-[4-[2-nitro-4-[4-(trimethylammonio)butyl]phenyl]butyl]ammonium diiodide IUPAC Name: trimethyl-[4-[2-nitro-4-[4-(trimethylazaniumyl)butyl]phenyl]butyl]azanium diiodide Traditional Name: trimethyl-[4-[2-nitro-4-[4-(trimethylammonio)butyl]phenyl]butyl]ammonium diiodide Formula: C20H37I2N3O2 MolecularWeight: 605.33562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCC1=CC(=C(C=C1)CCCC[N+](C)(C)C)[N+](=O)[O-].[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCCC1=CC(=C(C=C1)CCCC[N+](C)(C)C)[N+](=O)[O-].[I-].[I-]

InChI

InChI=1S/C20H37N3O2.2HI/c1-22(2,3)15-9-7-11-18-13-14-19(20(17-18)21(24)25)12-8-10-16-23(4,5)6;;/h13-14,17H,7-12,15-16H2,1-6H3;2*1H/q+2;;/p-2