1-dodecyl-4-methyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-dodecyl-4-methyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-dodecyl-4-methyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-dodecyl-4-methylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-dodecyl-4-methylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-lauryl-4-methyl-pyridin-1-ium tosylate Formula: C25H39NO3S MolecularWeight: 433.64706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-18(2)14-17-19;1-6-2-4-7(5-3-6)11(8,9)10/h13-14,16-17H,3-12,15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1