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

Systemtic Name: diethyl-heptyl-[(E)-4-(4-sulfamoylphenyl)but-2-enyl]azanium chloride Openeye Name: diethyl-heptyl-[(E)-4-(4-sulfamoylphenyl)but-2-enyl]ammonium chloride CAS Name: diethyl-heptyl-[(E)-4-(4-sulfamoylphenyl)but-2-enyl]ammonium chloride IUPAC Name: diethyl-heptyl-[(E)-4-(4-sulfamoylphenyl)but-2-enyl]azanium chloride Traditional Name: diethyl-heptyl-[(E)-4-(4-sulfamoylphenyl)but-2-enyl]ammonium chloride Formula: C21H37ClN2O2S MolecularWeight: 417.04868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N2O2S.ClH/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(17-15-20)26(22,24)25;/h10,12,14-17H,4-9,11,13,18-19H2,1-3H3,(H2,22,24,25);1H/q+1;/p-1/b12-10+;