1-hexadecylpyridin-1-ium; methanesulfonate

Systemtic Name: 1-hexadecylpyridin-1-ium; methanesulfonate Openeye Name: 1-hexadecylpyridin-1-ium; methanesulfonate CAS Name: 1-hexadecylpyridin-1-ium; methanesulfonate IUPAC Name: 1-hexadecylpyridin-1-ium; methanesulfonate Traditional Name: 1-cetylpyridin-1-ium mesylate Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H38N.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-5(2,3)4/h15,17-18,20-21H,2-14,16,19H2,1H3;1H3,(H,2,3,4)/q+1;/p-1