[3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-ethoxy-propyl] [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [4-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-ethoxypropyl] [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(3-lauryloxy-2-methyl-phenoxy)propyl] [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C40H55NO7P+ MolecularWeight: 692.840961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H54NO7P/c1-4-6-7-8-9-10-11-12-13-16-29-45-39-22-17-23-40(33(39)3)46-31-37(44-5-2)32-47-49(42,43)48-36-26-24-34(25-27-36)30-41-28-18-20-35-19-14-15-21-38(35)41/h14-15,17-28,37H,4-13,16,29-32H2,1-3H3/p+1