[2-oxidanyl-4-(2-oxidanylpropyl)-4-phenyl-hexadecan-5-yl]azanium chloride

Systemtic Name: [2-oxidanyl-4-(2-oxidanylpropyl)-4-phenyl-hexadecan-5-yl]azanium chloride Openeye Name: 1-[3-hydroxy-1-(2-hydroxypropyl)-1-phenyl-butyl]dodecylammonium chloride CAS Name: [2-hydroxy-4-(2-hydroxypropyl)-4-phenylhexadecan-5-yl]ammonium chloride IUPAC Name: [2-hydroxy-4-(2-hydroxypropyl)-4-phenylhexadecan-5-yl]azanium chloride Traditional Name: 1-[3-hydroxy-1-(2-hydroxypropyl)-1-phenyl-butyl]dodecylammonium chloride Formula: C25H46ClNO2 MolecularWeight: 428.09124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO2.ClH/c1-4-5-6-7-8-9-10-11-15-18-24(26)25(19-21(2)27,20-22(3)28)23-16-13-12-14-17-23;/h12-14,16-17,21-22,24,27-28H,4-11,15,18-20,26H2,1-3H3;1H