(2-methoxy-3-octadecoxy-propyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-octadecoxy-propyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-octadecoxypropyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-octadecoxypropyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C38H59NO6P+ MolecularWeight: 656.851921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C38H58NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-43-32-36(42-2)33-44-46(40,41)45-38-28-21-19-25-35(38)31-39-29-23-26-34-24-18-20-27-37(34)39/h18-21,23-29,36H,3-17,22,30-33H2,1-2H3/p+1