octadecyl(2-phenylpropan-2-yl)azanium chloride

Systemtic Name: octadecyl(2-phenylpropan-2-yl)azanium chloride Openeye Name: (1-methyl-1-phenyl-ethyl)-octadecyl-ammonium chloride CAS Name: octadecyl(2-phenylpropan-2-yl)ammonium chloride IUPAC Name: octadecyl(2-phenylpropan-2-yl)azanium chloride Traditional Name: cumyl(stearyl)ammonium chloride Formula: C27H50ClN MolecularWeight: 424.1456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-27(2,3)26-23-20-19-21-24-26;/h19-21,23-24,28H,4-18,22,25H2,1-3H3;1H