4-[diethyl(methyl)azaniumyl]butan-2-yl-octadecylsulfonyl-azanide hydroiodide

Systemtic Name: 4-[diethyl(methyl)azaniumyl]butan-2-yl-octadecylsulfonyl-azanide hydroiodide Openeye Name: [3-[diethyl(methyl)ammonio]-1-methyl-propyl]-octadecylsulfonyl-azanide hydroiodide CAS Name: 4-[diethyl(methyl)ammonio]butan-2-yl-octadecylsulfonylazanide hydroiodide IUPAC Name: 4-[diethyl(methyl)azaniumyl]butan-2-yl-octadecylsulfonylazanide hydroiodide Traditional Name: [3-[diethyl(methyl)ammonio]-1-methyl-propyl]-stearylsulfonyl-azanide hydroiodide Formula: C27H59IN2O2S MolecularWeight: 602.73903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)[N-]C(C)CC[N+](C)(CC)CC.I

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)[N-]C(C)CC[N+](C)(CC)CC.I

InChI

InChI=1S/C27H58N2O2S.HI/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-32(30,31)28-27(4)24-25-29(5,7-2)8-3;/h27H,6-26H2,1-5H3;1H