2-hexadecoxyethyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate

Systemtic Name: 2-hexadecoxyethyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate Openeye Name: 2-hexadecoxyethyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate CAS Name: 2-hexadecoxyethyl 2-(1-methyl-1-piperidin-1-iumyl)ethyl phosphate IUPAC Name: 2-hexadecoxyethyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate Traditional Name: 2-cetyloxyethyl 2-(1-methylpiperidin-1-ium-1-yl)ethyl phosphate Formula: C26H54NO5P MolecularWeight: 491.684421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCOP(=O)([O-])OCC[N+]1(CCCCC1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCOP(=O)([O-])OCC[N+]1(CCCCC1)C

InChI

InChI=1S/C26H54NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-30-25-26-32-33(28,29)31-24-22-27(2)20-17-16-18-21-27/h3-26H2,1-2H3