3-(dodecanoylamino)propyl-(2-hydroxyethyl)-(phenylmethyl)-prop-2-enyl-azanium chloride

Systemtic Name: 3-(dodecanoylamino)propyl-(2-hydroxyethyl)-(phenylmethyl)-prop-2-enyl-azanium chloride Openeye Name: allyl-benzyl-[3-(dodecanoylamino)propyl]-(2-hydroxyethyl)ammonium chloride CAS Name: 2-hydroxyethyl-[3-(1-oxododecylamino)propyl]-(phenylmethyl)-prop-2-enylammonium chloride IUPAC Name: benzyl-[3-(dodecanoylamino)propyl]-(2-hydroxyethyl)-prop-2-enylazanium chloride Traditional Name: allyl-benzyl-(2-hydroxyethyl)-[3-(lauroylamino)propyl]ammonium chloride Formula: C27H47ClN2O2 MolecularWeight: 467.12728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](CCO)(CC=C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](CCO)(CC=C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H46N2O2.ClH/c1-3-5-6-7-8-9-10-11-15-19-27(31)28-20-16-22-29(21-4-2,23-24-30)25-26-17-13-12-14-18-26;/h4,12-14,17-18,30H,2-3,5-11,15-16,19-25H2,1H3;1H