[3-(isoquinolin-2-ium-2-ylmethyl)phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate

Systemtic Name: [3-(isoquinolin-2-ium-2-ylmethyl)phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [3-(isoquinolin-2-ium-2-ylmethyl)phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [3-(2-isoquinolin-2-iumylmethyl)phenyl] (2-methoxy-3-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [3-(isoquinolin-2-ium-2-ylmethyl)phenyl] (2-methoxy-3-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [3-(isoquinolin-2-ium-2-ylmethyl)phenyl] (2-methoxy-3-myristyloxy-phenyl) hydrogen phosphate Formula: C37H49NO6P+ MolecularWeight: 634.761821

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=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C37H48NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-16-27-42-35-23-18-24-36(37(35)41-2)44-45(39,40)43-34-22-17-19-31(28-34)29-38-26-25-32-20-14-15-21-33(32)30-38/h14-15,17-26,28,30H,3-13,16,27,29H2,1-2H3/p+1