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

Systemtic Name: dimethyl-octadecyl-(2-phenylpropan-2-yl)azanium chloride Openeye Name: dimethyl-(1-methyl-1-phenyl-ethyl)-octadecyl-ammonium chloride CAS Name: dimethyl-octadecyl-(2-phenylpropan-2-yl)ammonium chloride IUPAC Name: dimethyl-octadecyl-(2-phenylpropan-2-yl)azanium chloride Traditional Name: cumyl-dimethyl-stearyl-ammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(4,5)29(2,3)28-25-22-21-23-26-28;/h21-23,25-26H,6-20,24,27H2,1-5H3;1H/q+1;/p-1