4-chloranyl-3,5-dimethyl-phenolate; ethyl-hexadecyl-dimethyl-azanium

Systemtic Name: 4-chloranyl-3,5-dimethyl-phenolate; ethyl-hexadecyl-dimethyl-azanium Openeye Name: 4-chloro-3,5-dimethyl-phenolate; ethyl-hexadecyl-dimethyl-ammonium CAS Name: 4-chloro-3,5-dimethylphenolate; ethyl-hexadecyl-dimethylammonium IUPAC Name: 4-chloro-3,5-dimethylphenolate; ethyl-hexadecyl-dimethylazanium Traditional Name: cetyl-ethyl-dimethyl-ammonium; 4-chloro-3,5-dimethyl-phenolate Formula: C28H52ClNO MolecularWeight: 454.17158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC1=CC(=CC(=C1Cl)C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.CC1=CC(=CC(=C1Cl)C)[O-]

InChI

InChI=1S/C20H44N.C8H9ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-5-3-7(10)4-6(2)8(5)9/h5-20H2,1-4H3;3-4,10H,1-2H3/q+1;/p-1