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

Systemtic Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-[(3-methyl-1-pyridin-1-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxy-2-methylphenoxy)-2-methoxypropyl] [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate Traditional Name: [3-(3-lauryloxy-2-methyl-phenoxy)-2-methoxy-propyl] [3-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl] hydrogen phosphate Formula: C36H53NO7P+ MolecularWeight: 642.782281

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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=CC(=C3)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C36H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-24-41-35-21-16-22-36(31(35)3)42-28-34(40-4)29-43-45(38,39)44-33-20-15-19-32(25-33)27-37-23-17-18-30(2)26-37/h15-23,25-26,34H,5-14,24,27-29H2,1-4H3/p+1