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

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-octadecoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-octadecoxypropyl) [4-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-octadecoxypropyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C38H59NO6P+ MolecularWeight: 656.851921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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