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

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-ethoxy-3-hexadecoxypropyl) [4-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-ethoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C37H57NO6P+ MolecularWeight: 642.825341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OCC

InChI

InChI=1S/C37H56NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-41-31-36(42-4-2)32-43-45(39,40)44-35-26-24-33(25-27-35)30-38-28-20-22-34-21-17-18-23-37(34)38/h17-18,20-28,36H,3-16,19,29-32H2,1-2H3/p+1