ethyl-hexadecyl-dimethyl-azanium; 2-phenylphenolate

Systemtic Name: ethyl-hexadecyl-dimethyl-azanium; 2-phenylphenolate Openeye Name: ethyl-hexadecyl-dimethyl-ammonium; 2-phenylphenolate CAS Name: ethyl-hexadecyl-dimethylammonium; 2-phenylphenolate IUPAC Name: ethyl-hexadecyl-dimethylazanium; 2-phenylphenolate Traditional Name: cetyl-ethyl-dimethyl-ammonium; 2-phenylphenolate Formula: C32H53NO MolecularWeight: 467.76932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC=C(C=C1)C2=CC=CC=C2[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC=C(C=C1)C2=CC=CC=C2[O-]

InChI

InChI=1S/C20H44N.C12H10O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H2,1-4H3;1-9,13H/q+1;/p-1