[3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyrimidin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyrimidin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyrimidin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(1-pyrimidin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-(pyrimidin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-(pyrimidin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C34H50N2O7P+ MolecularWeight: 629.743761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CN=C3)OC)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CN=C3)OC)C

InChI

InChI=1S/C34H49N2O7P/c1-4-5-6-7-8-9-10-11-12-13-23-40-33-19-15-20-34(29(33)2)41-26-32(39-3)27-42-44(37,38)43-31-18-14-17-30(24-31)25-36-22-16-21-35-28-36/h14-22,24,28,32H,4-13,23,25-27H2,1-3H3/p+1