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

Systemtic Name: (4-phenyl-4-propyl-octadecan-5-yl)azanium chloride Openeye Name: 1-(1-phenyl-1-propyl-butyl)tetradecylammonium chloride CAS Name: (4-phenyl-4-propyloctadecan-5-yl)ammonium chloride IUPAC Name: (4-phenyl-4-propyloctadecan-5-yl)azanium chloride Traditional Name: 1-(1-phenyl-1-propyl-butyl)tetradecylammonium chloride Formula: C27H50ClN MolecularWeight: 424.1456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N.ClH/c1-4-7-8-9-10-11-12-13-14-15-19-22-26(28)27(23-5-2,24-6-3)25-20-17-16-18-21-25;/h16-18,20-21,26H,4-15,19,22-24,28H2,1-3H3;1H