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

Systemtic Name: (4-phenyl-4-propyl-docosan-5-yl)azanium chloride Openeye Name: 1-(1-phenyl-1-propyl-butyl)octadecylammonium chloride CAS Name: (4-phenyl-4-propyldocosan-5-yl)ammonium chloride IUPAC Name: (4-phenyl-4-propyldocosan-5-yl)azanium chloride Traditional Name: 1-(1-phenyl-1-propyl-butyl)octadecylammonium chloride Formula: C31H58ClN MolecularWeight: 480.25192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(32)31(27-5-2,28-6-3)29-24-21-20-22-25-29;/h20-22,24-25,30H,4-19,23,26-28,32H2,1-3H3;1H