[3-(4H-imidazol-3-ium-3-ylmethyl)phenyl] (2-methoxy-3-tetradecoxy-phenyl) phosphate

Systemtic Name: [3-(4H-imidazol-3-ium-3-ylmethyl)phenyl] (2-methoxy-3-tetradecoxy-phenyl) phosphate Openeye Name: [3-(4H-imidazol-3-ium-3-ylmethyl)phenyl] (2-methoxy-3-tetradecoxy-phenyl) phosphate CAS Name: [3-(4H-imidazol-3-ium-3-ylmethyl)phenyl] (2-methoxy-3-tetradecoxyphenyl) phosphate IUPAC Name: [3-(4H-imidazol-3-ium-3-ylmethyl)phenyl] (2-methoxy-3-tetradecoxyphenyl) phosphate Traditional Name: [3-(4H-imidazol-3-ium-3-ylmethyl)phenyl] (2-methoxy-3-myristyloxy-phenyl) phosphate Formula: C31H45N2O6P MolecularWeight: 572.672561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CN=CC3)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)C[N+]3=CN=CC3)OC

InChI

InChI=1S/C31H45N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-37-29-19-16-20-30(31(29)36-2)39-40(34,35)38-28-18-15-17-27(24-28)25-33-22-21-32-26-33/h15-21,24,26H,3-14,22-23,25H2,1-2H3