1-hexadecylpyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-hexadecylpyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-hexadecylpyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-hexadecylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-hexadecylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-cetylpyridin-1-ium tosylate Formula: C28H45NO3S MolecularWeight: 475.7268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-6-2-4-7(5-3-6)11(8,9)10/h15,17-18,20-21H,2-14,16,19H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1