[(Z)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: [(Z)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium; 4-methylbenzenesulfonate Openeye Name: [(Z)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium; 4-methylbenzenesulfonate CAS Name: [(Z)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptylammonium; 4-methylbenzenesulfonate IUPAC Name: [(Z)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptylazanium; 4-methylbenzenesulfonate Traditional Name: [(Z)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium tosylate Formula: C28H42ClNO3S MolecularWeight: 508.15598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h10,12,14-17H,4-9,11,13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b12-10-;