[6,6-dimethyl-5-(phenylmethyl)hexadecan-7-yl]azanium chloride

Systemtic Name: [6,6-dimethyl-5-(phenylmethyl)hexadecan-7-yl]azanium chloride Openeye Name: 1-(2-benzyl-1,1-dimethyl-hexyl)decylammonium chloride CAS Name: [6,6-dimethyl-5-(phenylmethyl)hexadecan-7-yl]ammonium chloride IUPAC Name: (5-benzyl-6,6-dimethylhexadecan-7-yl)azanium chloride Traditional Name: 1-(2-benzyl-1,1-dimethyl-hexyl)decylammonium chloride Formula: C25H46ClN MolecularWeight: 396.09244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)(C)C(CCCC)CC1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCC(C(C)(C)C(CCCC)CC1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C25H45N.ClH/c1-5-7-9-10-11-12-16-20-24(26)25(3,4)23(19-8-6-2)21-22-17-14-13-15-18-22;/h13-15,17-18,23-24H,5-12,16,19-21,26H2,1-4H3;1H