(3-hexadecoxy-2-methoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) 2-(1-pyridin-1-iumyl)ethyl phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) 2-pyridin-1-ium-1-ylethyl phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) 2-pyridin-1-ium-1-ylethyl phosphate Formula: C27H50NO6P MolecularWeight: 515.662761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=CC=C1)OC

InChI

InChI=1S/C27H50NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-32-25-27(31-2)26-34-35(29,30)33-24-22-28-20-17-16-18-21-28/h16-18,20-21,27H,3-15,19,22-26H2,1-2H3