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

Systemtic Name: (3-hexadecoxy-2-oxidanyl-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: (3-hexadecoxy-2-hydroxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate CAS Name: (3-hexadecoxy-2-hydroxypropyl) 2-(1-pyridin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-hydroxypropyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: (3-cetyloxy-2-hydroxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Formula: C26H49NO6P+ MolecularWeight: 502.644121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-31-24-26(28)25-33-34(29,30)32-23-21-27-19-16-15-17-20-27/h15-17,19-20,26,28H,2-14,18,21-25H2,1H3/p+1