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

Systemtic Name: (4-phenyl-4-propyl-icosan-5-yl)azanium chloride Openeye Name: 1-(1-phenyl-1-propyl-butyl)hexadecylammonium chloride CAS Name: (4-phenyl-4-propyleicosan-5-yl)ammonium chloride IUPAC Name: (4-phenyl-4-propylicosan-5-yl)azanium chloride Traditional Name: 1-(1-phenyl-1-propyl-butyl)hexadecylammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-24-28(30)29(25-5-2,26-6-3)27-22-19-18-20-23-27;/h18-20,22-23,28H,4-17,21,24-26,30H2,1-3H3;1H