(4-phenyl-4-propyl-hexadecan-5-yl)azanium chloride

Systemtic Name: (4-phenyl-4-propyl-hexadecan-5-yl)azanium chloride Openeye Name: 1-(1-phenyl-1-propyl-butyl)dodecylammonium chloride CAS Name: (4-phenyl-4-propylhexadecan-5-yl)ammonium chloride IUPAC Name: (4-phenyl-4-propylhexadecan-5-yl)azanium chloride Traditional Name: 1-(1-phenyl-1-propyl-butyl)dodecylammonium chloride Formula: C25H46ClN MolecularWeight: 396.09244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCC)(CCC)C1=CC=CC=C1)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(C(CCC)(CCC)C1=CC=CC=C1)[NH3+].[Cl-]

InChI

InChI=1S/C25H45N.ClH/c1-4-7-8-9-10-11-12-13-17-20-24(26)25(21-5-2,22-6-3)23-18-15-14-16-19-23;/h14-16,18-19,24H,4-13,17,20-22,26H2,1-3H3;1H