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

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-myristyloxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C37H49NO6P+ MolecularWeight: 634.761821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)OC

InChI

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