2-dodecylpyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-dodecylpyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-dodecylpyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-dodecylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-dodecylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-laurylpyridin-1-ium tosylate Formula: C24H37NO3S MolecularWeight: 419.62048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=[NH+]1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=[NH+]1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H29N.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18-17;1-6-2-4-7(5-3-6)11(8,9)10/h12-13,15-16H,2-11,14H2,1H3;2-5H,1H3,(H,8,9,10)