4-methylbenzenesulfonate; 1-(5,9,13-trimethyltetradecyl)pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-(5,9,13-trimethyltetradecyl)pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-(5,9,13-trimethyltetradecyl)pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-(5,9,13-trimethyltetradecyl)pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-(5,9,13-trimethyltetradecyl)pyridin-1-ium Traditional Name: 1-(5,9,13-trimethyltetradecyl)pyridin-1-ium tosylate Formula: C29H47NO3S MolecularWeight: 489.75338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCC(C)CCCC(C)CCCC[N+]1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCC(C)CCCC(C)CCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C22H40N.C7H8O3S/c1-20(2)12-10-14-22(4)16-11-15-21(3)13-6-9-19-23-17-7-5-8-18-23;1-6-2-4-7(5-3-6)11(8,9)10/h5,7-8,17-18,20-22H,6,9-16,19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1