(2,2-dimethyl-1-phenyl-propyl)-dodecyl-hexadecyl-tetradecyl-azanium chloride

Systemtic Name: (2,2-dimethyl-1-phenyl-propyl)-dodecyl-hexadecyl-tetradecyl-azanium chloride Openeye Name: (2,2-dimethyl-1-phenyl-propyl)-dodecyl-hexadecyl-tetradecyl-ammonium chloride CAS Name: (2,2-dimethyl-1-phenylpropyl)-dodecyl-hexadecyl-tetradecylammonium chloride IUPAC Name: (2,2-dimethyl-1-phenylpropyl)-dodecyl-hexadecyl-tetradecylazanium chloride Traditional Name: cetyl-(2,2-dimethyl-1-phenyl-propyl)-lauryl-myristyl-ammonium chloride Formula: C53H102ClN MolecularWeight: 788.83668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H102N.ClH/c1-7-10-13-16-19-22-25-27-28-30-33-36-39-45-50-54(48-43-37-34-31-24-21-18-15-12-9-3,52(53(4,5)6)51-46-41-40-42-47-51)49-44-38-35-32-29-26-23-20-17-14-11-8-2;/h40-42,46-47,52H,7-39,43-45,48-50H2,1-6H3;1H/q+1;/p-1