hexadecyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl phosphate

Systemtic Name: hexadecyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl phosphate Openeye Name: hexadecyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl phosphate CAS Name: hexadecyl 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl phosphate IUPAC Name: hexadecyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl phosphate Traditional Name: cetyl 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl phosphate Formula: C23H48NO4P MolecularWeight: 433.605281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCCC1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(CCCC1)C

InChI

InChI=1S/C23H48NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-27-29(25,26)28-23-21-24(2)19-16-17-20-24/h3-23H2,1-2H3