1-dodecylpyridin-1-ium; 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: 1-dodecylpyridin-1-ium; 2,2,2-tris(chloranyl)ethanoate Openeye Name: 1-dodecylpyridin-1-ium; 2,2,2-trichloroacetate CAS Name: 1-dodecylpyridin-1-ium; 2,2,2-trichloroacetate IUPAC Name: 1-dodecylpyridin-1-ium; 2,2,2-trichloroacetate Traditional Name: 1-laurylpyridin-1-ium; 2,2,2-trichloroacetate Formula: C19H30Cl3NO2 MolecularWeight: 410.806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1.C(=O)(C(Cl)(Cl)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1.C(=O)(C(Cl)(Cl)Cl)[O-]

InChI

InChI=1S/C17H30N.C2HCl3O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;3-2(4,5)1(6)7/h11,13-14,16-17H,2-10,12,15H2,1H3;(H,6,7)/q+1;/p-1