[(E)-1-(4-chlorophenyl)but-2-enyl]-di(nonan-3-yl)azanium; 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-di(nonan-3-yl)azanium; 4-methylbenzenesulfonate Openeye Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-bis(1-ethylheptyl)ammonium; 4-methylbenzenesulfonate CAS Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-di(nonan-3-yl)ammonium; 4-methylbenzenesulfonate IUPAC Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-di(nonan-3-yl)azanium; 4-methylbenzenesulfonate Traditional Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-bis(1-ethylheptyl)ammonium tosylate Formula: C35H56ClNO3S MolecularWeight: 606.34204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48ClN.C7H8O3S/c1-6-11-13-15-18-26(9-4)30(27(10-5)19-16-14-12-7-2)28(17-8-3)24-20-22-25(29)23-21-24;1-6-2-4-7(5-3-6)11(8,9)10/h8,17,20-23,26-28H,6-7,9-16,18-19H2,1-5H3;2-5H,1H3,(H,8,9,10)/b17-8+;