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

Systemtic Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]azanium chloride Openeye Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]ammonium chloride CAS Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]ammonium chloride IUPAC Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]azanium chloride Traditional Name: diethyl-heptyl-[(E)-4-(4-mesylphenyl)but-2-enyl]ammonium chloride Formula: C22H38ClNO2S MolecularWeight: 416.06062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO2S.ClH/c1-5-8-9-10-12-19-23(6-2,7-3)20-13-11-14-21-15-17-22(18-16-21)26(4,24)25;/h11,13,15-18H,5-10,12,14,19-20H2,1-4H3;1H/q+1;/p-1/b13-11+;