hexadecyl 2-pyrrolidin-1-ium-1-ylethyl phosphate

Systemtic Name: hexadecyl 2-pyrrolidin-1-ium-1-ylethyl phosphate Openeye Name: hexadecyl 2-pyrrolidin-1-ium-1-ylethyl phosphate CAS Name: hexadecyl 2-(1-pyrrolidin-1-iumyl)ethyl phosphate IUPAC Name: hexadecyl 2-pyrrolidin-1-ium-1-ylethyl phosphate Traditional Name: cetyl 2-pyrrolidin-1-ium-1-ylethyl phosphate Formula: C22H46NO4P MolecularWeight: 419.578701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H46NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-26-28(24,25)27-22-20-23-18-15-16-19-23/h2-22H2,1H3,(H,24,25)