2-(2-methylphenyl)propan-2-yl-octadecyl-azanium chloride

Systemtic Name: 2-(2-methylphenyl)propan-2-yl-octadecyl-azanium chloride Openeye Name: [1-methyl-1-(o-tolyl)ethyl]-octadecyl-ammonium chloride CAS Name: 2-(2-methylphenyl)propan-2-yl-octadecylammonium chloride IUPAC Name: 2-(2-methylphenyl)propan-2-yl-octadecylazanium chloride Traditional Name: [1-methyl-1-(o-tolyl)ethyl]-stearyl-ammonium chloride Formula: C28H52ClN MolecularWeight: 438.17218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1C.[Cl-]

InChI

InChI=1S/C28H51N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-29-28(3,4)27-24-21-20-23-26(27)2;/h20-21,23-24,29H,5-19,22,25H2,1-4H3;1H