(2-ethoxy-3-hexadecoxy-propyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-ethoxy-3-hexadecoxypropyl) [4-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C33H55NO6P+ MolecularWeight: 592.766661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=C(C=C1)C[N+]2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=C(C=C1)C[N+]2=CC=CC=C2)OCC

InChI

InChI=1S/C33H54NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-27-37-29-33(38-4-2)30-39-41(35,36)40-32-23-21-31(22-24-32)28-34-25-18-17-19-26-34/h17-19,21-26,33H,3-16,20,27-30H2,1-2H3/p+1