2-[2-[3-(octadecanoylamino)propyl]phenyl]propan-2-ylazanium chloride

Systemtic Name: 2-[2-[3-(octadecanoylamino)propyl]phenyl]propan-2-ylazanium chloride Openeye Name: [1-methyl-1-[2-[3-(octadecanoylamino)propyl]phenyl]ethyl]ammonium chloride CAS Name: 2-[2-[3-(1-oxooctadecylamino)propyl]phenyl]propan-2-ylammonium chloride IUPAC Name: 2-[2-[3-(octadecanoylamino)propyl]phenyl]propan-2-ylazanium chloride Traditional Name: [1-methyl-1-[2-(3-stearamidopropyl)phenyl]ethyl]ammonium chloride Formula: C30H55ClN2O MolecularWeight: 495.2235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCCC1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCC1=CC=CC=C1C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C30H54N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-29(33)32-26-21-23-27-22-19-20-24-28(27)30(2,3)31;/h19-20,22,24H,4-18,21,23,25-26,31H2,1-3H3,(H,32,33);1H