diethyl-heptyl-[(E)-4-[4-(methylsulfonylamino)phenyl]but-2-enyl]azanium chloride

Systemtic Name: diethyl-heptyl-[(E)-4-[4-(methylsulfonylamino)phenyl]but-2-enyl]azanium chloride Openeye Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]but-2-enyl]ammonium chloride CAS Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]but-2-enyl]ammonium chloride IUPAC Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]but-2-enyl]azanium chloride Traditional Name: diethyl-heptyl-[(E)-4-[4-(methanesulfonamido)phenyl]but-2-enyl]ammonium chloride Formula: C22H39ClN2O2S MolecularWeight: 431.07526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC=C(C=C1)NS(=O)(=O)C.[Cl-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C/C=C/CC1=CC=C(C=C1)NS(=O)(=O)C.[Cl-]

InChI

InChI=1S/C22H39N2O2S.ClH/c1-5-8-9-10-12-19-24(6-2,7-3)20-13-11-14-21-15-17-22(18-16-21)23-27(4,25)26;/h11,13,15-18,23H,5-10,12,14,19-20H2,1-4H3;1H/q+1;/p-1/b13-11+;