ethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium; ethyl sulfate

Systemtic Name: ethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium; ethyl sulfate Openeye Name: ethyl-dimethyl-[3-(octadecanoylamino)propyl]ammonium; ethyl sulfate CAS Name: ethyl-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium; ethyl sulfate IUPAC Name: ethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium; ethyl sulfate Traditional Name: ethyl-dimethyl-(3-stearamidopropyl)ammonium; ethyl sulfate Formula: C27H58N2O5S MolecularWeight: 522.82482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C25H52N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h5-24H2,1-4H3;2H2,1H3,(H,3,4,5)