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(octadecanoylamino)-(phenylmethyl)-propyl-azanium chloride

(octadecanoylamino)-(phenylmethyl)-propyl-azanium chloride

Systemtic Name:(octadecanoylamino)-(phenylmethyl)-propyl-azanium chloride
Openeye Name:benzyl-(octadecanoylamino)-propyl-ammonium chloride
CAS Name:(1-oxooctadecylamino)-(phenylmethyl)-propylammonium chloride
IUPAC Name:benzyl-(octadecanoylamino)-propylazanium chloride
Traditional Name:benzyl-propyl-stearamido-ammonium chloride
Formula: C28H51ClN2O
MolecularWeight: 467.17034
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N[NH+](CCC)CC1=CC=CC=C1.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[NH+](CCC)CC1=CC=CC=C1.[Cl-]


InChI

InChI=1S/C28H50N2O.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(31)29-30(25-4-2)26-27-22-19-18-20-23-27;/h18-20,22-23H,3-17,21,24-26H2,1-2H3,(H,29,31);1H


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