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

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

Systemtic Name:hexadecyl-(2-phenylpropan-2-yl)-tetradecyl-azanium chloride
Openeye Name:hexadecyl-(1-methyl-1-phenyl-ethyl)-tetradecyl-ammonium chloride
CAS Name:hexadecyl-(2-phenylpropan-2-yl)-tetradecylammonium chloride
IUPAC Name:hexadecyl-(2-phenylpropan-2-yl)-tetradecylazanium chloride
Traditional Name:cetyl-cumyl-myristyl-ammonium chloride
Formula: C39H74ClN
MolecularWeight: 592.46456
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C39H73N.ClH/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-33-37-40(39(3,4)38-34-30-29-31-35-38)36-32-27-25-23-21-18-16-14-12-10-8-6-2;/h29-31,34-35H,5-28,32-33,36-37H2,1-4H3;1H


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