(2-dodecoxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-dodecoxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-dodecoxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-dodecoxy-5-methoxyphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-dodecoxy-5-methoxyphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-lauryloxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C35H45NO6P+ MolecularWeight: 606.708661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C35H44NO6P/c1-3-4-5-6-7-8-9-10-11-14-25-40-34-23-22-31(39-2)27-35(34)42-43(37,38)41-32-20-15-17-29(26-32)28-36-24-16-19-30-18-12-13-21-33(30)36/h12-13,15-24,26-27H,3-11,14,25,28H2,1-2H3/p+1