2-octadecoxyethyl 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: 2-octadecoxyethyl 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: 2-octadecoxyethyl 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: 2-octadecoxyethyl 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: 2-octadecoxyethyl 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: 2-pyridin-1-ium-1-ylethyl 2-stearyloxyethyl phosphate Formula: C27H50NO5P MolecularWeight: 499.663361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31-26-27-33-34(29,30)32-25-23-28-21-18-17-19-22-28/h17-19,21-22H,2-16,20,23-27H2,1H3