(2-methyl-4-phenyl-butan-2-yl)-octadecyl-azanium chloride

Systemtic Name: (2-methyl-4-phenyl-butan-2-yl)-octadecyl-azanium chloride Openeye Name: (1,1-dimethyl-3-phenyl-propyl)-octadecyl-ammonium chloride CAS Name: (2-methyl-4-phenylbutan-2-yl)-octadecylammonium chloride IUPAC Name: (2-methyl-4-phenylbutan-2-yl)-octadecylazanium chloride Traditional Name: (1,1-dimethyl-3-phenyl-propyl)-stearyl-ammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]C(C)(C)CCC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]C(C)(C)CCC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C29H53N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-30-29(2,3)26-25-28-23-20-19-21-24-28;/h19-21,23-24,30H,4-18,22,25-27H2,1-3H3;1H