ethyl-[3-(hexadecanoylamino)propyl]-hexyl-prop-2-enyl-azanium sulfate

Systemtic Name: ethyl-[3-(hexadecanoylamino)propyl]-hexyl-prop-2-enyl-azanium sulfate Openeye Name: allyl-ethyl-[3-(hexadecanoylamino)propyl]-hexyl-ammonium sulfate CAS Name: ethyl-hexyl-[3-(1-oxohexadecylamino)propyl]-prop-2-enylammonium sulfate IUPAC Name: ethyl-[3-(hexadecanoylamino)propyl]-hexyl-prop-2-enylazanium sulfate Traditional Name: allyl-ethyl-hexyl-(3-palmitamidopropyl)ammonium sulfate Formula: C30H61N2O5S- MolecularWeight: 561.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(CCCCCC)CC=C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(CCCCCC)CC=C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C30H60N2O.H2O4S/c1-5-9-11-13-14-15-16-17-18-19-20-21-22-25-30(33)31-26-24-29-32(8-4,27-7-3)28-23-12-10-6-2;1-5(2,3)4/h7H,3,5-6,8-29H2,1-2,4H3;(H2,1,2,3,4)/p-1