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octadecyl-tris(1-phenylethyl)azanium chloride

octadecyl-tris(1-phenylethyl)azanium chloride

Systemtic Name:octadecyl-tris(1-phenylethyl)azanium chloride
Openeye Name:octadecyl-tris(1-phenylethyl)ammonium chloride
CAS Name:octadecyl-tris(1-phenylethyl)ammonium chloride
IUPAC Name:octadecyl-tris(1-phenylethyl)azanium chloride
Traditional Name:tris(1-phenylethyl)-stearyl-ammonium chloride
Formula: C42H64ClN
MolecularWeight: 618.41726
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C(C)C1=CC=CC=C1)(C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C(C)C1=CC=CC=C1)(C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3.[Cl-]


InChI

InChI=1S/C42H64N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36-43(37(2)40-30-23-20-24-31-40,38(3)41-32-25-21-26-33-41)39(4)42-34-27-22-28-35-42;/h20-28,30-35,37-39H,5-19,29,36H2,1-4H3;1H/q+1;/p-1


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