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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(2,3)30-29(4,5)27-24-21-20-22-25-27;/h20-22,24-25,30H,6-19,23,26H2,1-5H3;1H