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

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C32H53NO6P+ MolecularWeight: 578.740081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H52NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-37-28-32(36-2)29-38-40(34,35)39-31-22-20-21-30(26-31)27-33-23-17-16-18-24-33/h16-18,20-24,26,32H,3-15,19,25,27-29H2,1-2H3/p+1