4-methylbenzenesulfonate; 1-[(4E,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienyl]quinolin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-[(4E,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienyl]quinolin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-[(4E,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienyl]quinolin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-[(4E,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienyl]quinolin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-[(4E,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienyl]quinolin-1-ium Traditional Name: 1-[(4E,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienyl]quinolin-1-ium tosylate Formula: C33H43NO3S MolecularWeight: 533.76442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=CCCC(=CCCC(=CCCC[N+]1=CC=CC2=CC=CC=C21)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=CCC/C(=C\CC/C(=C/CCC[N+]1=CC=CC2=CC=CC=C21)/C)/C)C

InChI

InChI=1S/C26H36N.C7H8O3S/c1-22(2)12-9-14-24(4)16-10-15-23(3)13-7-8-20-27-21-11-18-25-17-5-6-19-26(25)27;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,11-13,16-19,21H,7-10,14-15,20H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b23-13+,24-16-;