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

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate CAS Name: (2-ethoxy-3-hexadecoxypropyl) 2-(1-pyridin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Formula: C28H53NO6P+ MolecularWeight: 530.697281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-24-32-26-28(33-4-2)27-35-36(30,31)34-25-23-29-21-18-17-19-22-29/h17-19,21-22,28H,3-16,20,23-27H2,1-2H3/p+1