3-(octadecanoylamino)propyl 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: 3-(octadecanoylamino)propyl 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: 3-(octadecanoylamino)propyl 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: 3-(1-oxooctadecylamino)propyl 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: 3-(octadecanoylamino)propyl 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: 2-pyridin-1-ium-1-ylethyl 3-stearamidopropyl phosphate Formula: C28H51N2O5P MolecularWeight: 526.688701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCCOP(=O)([O-])OCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCOP(=O)([O-])OCC[N+]1=CC=CC=C1

InChI

InChI=1S/C28H51N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-28(31)29-22-20-26-34-36(32,33)35-27-25-30-23-18-16-19-24-30/h16,18-19,23-24H,2-15,17,20-22,25-27H2,1H3,(H-,29,31,32,33)