dimethyl-[3-[methyl(octadecylsulfonyl)amino]propyl]-(phenylmethyl)azanium hydroiodide

Systemtic Name: dimethyl-[3-[methyl(octadecylsulfonyl)amino]propyl]-(phenylmethyl)azanium hydroiodide Openeye Name: benzyl-dimethyl-[3-[methyl(octadecylsulfonyl)amino]propyl]ammonium hydroiodide CAS Name: dimethyl-[3-[methyl(octadecylsulfonyl)amino]propyl]-(phenylmethyl)ammonium hydroiodide IUPAC Name: benzyl-dimethyl-[3-[methyl(octadecylsulfonyl)amino]propyl]azanium hydroiodide Traditional Name: benzyl-dimethyl-[3-[methyl(stearylsulfonyl)amino]propyl]ammonium hydroiodide Formula: C31H60IN2O2S+ MolecularWeight: 651.78977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H59N2O2S.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-36(34,35)32(2)27-24-28-33(3,4)30-31-25-21-20-22-26-31;/h20-22,25-26H,5-19,23-24,27-30H2,1-4H3;1H/q+1;