1-[2-(2-methylphenoxy)ethoxy]decan-2-yl-(2-phenylpropan-2-yl)azanium chloride

Systemtic Name: 1-[2-(2-methylphenoxy)ethoxy]decan-2-yl-(2-phenylpropan-2-yl)azanium chloride Openeye Name: 1-[2-(2-methylphenoxy)ethoxymethyl]nonyl-(1-methyl-1-phenyl-ethyl)ammonium chloride CAS Name: 1-[2-(2-methylphenoxy)ethoxy]decan-2-yl-(2-phenylpropan-2-yl)ammonium chloride IUPAC Name: 1-[2-(2-methylphenoxy)ethoxy]decan-2-yl-(2-phenylpropan-2-yl)azanium chloride Traditional Name: cumyl-[1-[2-(2-methylphenoxy)ethoxymethyl]nonyl]ammonium chloride Formula: C28H44ClNO2 MolecularWeight: 462.10746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(COCCOC1=CC=CC=C1C)[NH2+]C(C)(C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCC(COCCOC1=CC=CC=C1C)[NH2+]C(C)(C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C28H43NO2.ClH/c1-5-6-7-8-9-13-19-26(29-28(3,4)25-17-11-10-12-18-25)23-30-21-22-31-27-20-15-14-16-24(27)2;/h10-12,14-18,20,26,29H,5-9,13,19,21-23H2,1-4H3;1H