2-ethenyl-1-hexadecyl-pyridin-1-ium; methyl sulfate

Systemtic Name: 2-ethenyl-1-hexadecyl-pyridin-1-ium; methyl sulfate Openeye Name: 1-hexadecyl-2-vinyl-pyridin-1-ium; methyl sulfate CAS Name: 2-ethenyl-1-hexadecylpyridin-1-ium; methyl sulfate IUPAC Name: 2-ethenyl-1-hexadecylpyridin-1-ium; methyl sulfate Traditional Name: 1-cetyl-2-vinyl-pyridin-1-ium; methyl sulfate Formula: C24H43NO4S MolecularWeight: 441.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1C=C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1C=C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H40N.CH4O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23(24)4-2;1-5-6(2,3)4/h4,17,19-20,22H,2-3,5-16,18,21H2,1H3;1H3,(H,2,3,4)/q+1;/p-1