dodecyl-hexadecyl-(2-phenylpropan-2-yl)-tetradecyl-azanium chloride

Systemtic Name: dodecyl-hexadecyl-(2-phenylpropan-2-yl)-tetradecyl-azanium chloride Openeye Name: dodecyl-hexadecyl-(1-methyl-1-phenyl-ethyl)-tetradecyl-ammonium chloride CAS Name: dodecyl-hexadecyl-(2-phenylpropan-2-yl)-tetradecylammonium chloride IUPAC Name: dodecyl-hexadecyl-(2-phenylpropan-2-yl)-tetradecylazanium chloride Traditional Name: cetyl-cumyl-lauryl-myristyl-ammonium chloride Formula: C51H98ClN MolecularWeight: 760.78352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCCCC)C(C)(C)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCCCC)C(C)(C)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C51H98N.ClH/c1-6-9-12-15-18-21-24-26-27-29-32-35-38-44-49-52(51(4,5)50-45-40-39-41-46-50,47-42-36-33-30-23-20-17-14-11-8-3)48-43-37-34-31-28-25-22-19-16-13-10-7-2;/h39-41,45-46H,6-38,42-44,47-49H2,1-5H3;1H/q+1;/p-1