2-(hexadecanoylamino)ethyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(phenylmethyl)azanium chloride

Systemtic Name: 2-(hexadecanoylamino)ethyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(hexadecanoylamino)ethyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: methyl-[2-(1-oxohexadecylamino)ethyl]-[(2-oxo-1-pyrrolidinyl)methyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(hexadecanoylamino)ethyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride Traditional Name: benzyl-[(2-ketopyrrolidino)methyl]-methyl-(2-palmitamidoethyl)ammonium chloride Formula: C31H54ClN3O2 MolecularWeight: 536.23236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CC1=CC=CC=C1)CN2CCCC2=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CC1=CC=CC=C1)CN2CCCC2=O.[Cl-]

InChI

InChI=1S/C31H53N3O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-22-30(35)32-24-26-34(2,27-29-20-16-15-17-21-29)28-33-25-19-23-31(33)36;/h15-17,20-21H,3-14,18-19,22-28H2,1-2H3;1H