3-(dodecanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(4-prop-2-enoxybutyl)azanium chloride

Systemtic Name: 3-(dodecanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(4-prop-2-enoxybutyl)azanium chloride Openeye Name: 4-allyloxybutyl-[3-(dodecanoylamino)propyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium chloride CAS Name: methyl-[3-(1-oxododecylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]-(4-prop-2-enoxybutyl)ammonium chloride IUPAC Name: 3-(dodecanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-prop-2-enoxybutyl)azanium chloride Traditional Name: 4-allyloxybutyl-[(2-ketopyrrolidino)methyl]-[3-(lauroylamino)propyl]-methyl-ammonium chloride Formula: C28H54ClN3O3 MolecularWeight: 516.19966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(CCCCOCC=C)CN1CCCC1=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(CCCCOCC=C)CN1CCCC1=O.[Cl-]

InChI

InChI=1S/C28H53N3O3.ClH/c1-4-6-7-8-9-10-11-12-13-18-27(32)29-20-17-23-31(3,22-14-15-25-34-24-5-2)26-30-21-16-19-28(30)33;/h5H,2,4,6-26H2,1,3H3;1H