hexadecyl 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: hexadecyl 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: hexadecyl 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: hexadecyl 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: hexadecyl 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: cetyl 2-pyridin-1-ium-1-ylethyl phosphate Formula: C23H42NO4P MolecularWeight: 427.557641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-27-29(25,26)28-23-21-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3