5-[4-[4-(dibutylamino)phenyl]phenyl]nonan-5-ylazanium iodide

Systemtic Name: 5-[4-[4-(dibutylamino)phenyl]phenyl]nonan-5-ylazanium iodide Openeye Name: [1-butyl-1-[4-[4-(dibutylamino)phenyl]phenyl]pentyl]ammonium iodide CAS Name: 5-[4-[4-(dibutylamino)phenyl]phenyl]nonan-5-ylammonium iodide IUPAC Name: 5-[4-[4-(dibutylamino)phenyl]phenyl]nonan-5-ylazanium iodide Traditional Name: [1-butyl-1-[4-[4-(dibutylamino)phenyl]phenyl]pentyl]ammonium iodide Formula: C29H47IN2 MolecularWeight: 550.60135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C1=CC=C(C=C1)C2=CC=C(C=C2)N(CCCC)CCCC)[NH3+].[I-]

Isomeric SMILES

CCCCC(CCCC)(C1=CC=C(C=C1)C2=CC=C(C=C2)N(CCCC)CCCC)[NH3+].[I-]

InChI

InChI=1S/C29H46N2.HI/c1-5-9-21-29(30,22-10-6-2)27-17-13-25(14-18-27)26-15-19-28(20-16-26)31(23-11-7-3)24-12-8-4;/h13-20H,5-12,21-24,30H2,1-4H3;1H