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

Systemtic Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]azanium Openeye Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]ammonium CAS Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]ammonium IUPAC Name: diethyl-heptyl-[(E)-4-(4-methylsulfonylphenyl)but-2-enyl]azanium Traditional Name: diethyl-heptyl-[(E)-4-(4-mesylphenyl)but-2-enyl]ammonium Formula: C22H38NO2S+ MolecularWeight: 380.60762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO2S/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/q+1/b13-11+