4-methylbenzenesulfonate; 1-octadecylpyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-octadecylpyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-octadecylpyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-octadecylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-octadecylpyridin-1-ium Traditional Name: 1-stearylpyridin-1-ium tosylate Formula: C30H49NO3S MolecularWeight: 503.77996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;1-6-2-4-7(5-3-6)11(8,9)10/h17,19-20,22-23H,2-16,18,21H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1