(3-ethyl-3-phenyl-henicosan-4-yl)azanium chloride

Systemtic Name: (3-ethyl-3-phenyl-henicosan-4-yl)azanium chloride Openeye Name: 1-(1-ethyl-1-phenyl-propyl)octadecylammonium chloride CAS Name: (3-ethyl-3-phenylheneicosan-4-yl)ammonium chloride IUPAC Name: (3-ethyl-3-phenylhenicosan-4-yl)azanium chloride Traditional Name: 1-(1-ethyl-1-phenyl-propyl)octadecylammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H53N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(30)29(5-2,6-3)27-24-21-20-22-25-27;/h20-22,24-25,28H,4-19,23,26,30H2,1-3H3;1H