1-(octadecanoylamino)ethyl-(3-phenylpentan-3-yl)azanium chloride

Systemtic Name: 1-(octadecanoylamino)ethyl-(3-phenylpentan-3-yl)azanium chloride Openeye Name: (1-ethyl-1-phenyl-propyl)-[1-(octadecanoylamino)ethyl]ammonium chloride CAS Name: 1-(1-oxooctadecylamino)ethyl-(3-phenylpentan-3-yl)ammonium chloride IUPAC Name: 1-(octadecanoylamino)ethyl-(3-phenylpentan-3-yl)azanium chloride Traditional Name: (1-ethyl-1-phenyl-propyl)-(1-stearamidoethyl)ammonium chloride Formula: C31H57ClN2O MolecularWeight: 509.25008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)[NH2+]C(CC)(CC)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)[NH2+]C(CC)(CC)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C31H56N2O.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(34)32-28(4)33-31(6-2,7-3)29-25-22-21-23-26-29;/h21-23,25-26,28,33H,5-20,24,27H2,1-4H3,(H,32,34);1H