1-docosylpyridin-1-ium sulfate

Systemtic Name: 1-docosylpyridin-1-ium sulfate Openeye Name: 1-docosylpyridin-1-ium sulfate CAS Name: 1-docosylpyridin-1-ium sulfate IUPAC Name: 1-docosylpyridin-1-ium sulfate Traditional Name: 1-behenylpyridin-1-ium sulfate Formula: C27H50NO4S- MolecularWeight: 484.7552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C27H50N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-28-26-23-21-24-27-28;1-5(2,3)4/h21,23-24,26-27H,2-20,22,25H2,1H3;(H2,1,2,3,4)/q+1;/p-2