2-methoxypropyl [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: 2-methoxypropyl [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: 2-methoxypropyl [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: 2-methoxypropyl [2-(1-methyl-2-pyridin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: 2-methoxypropyl [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: 2-methoxypropyl [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C16H21NO5P+ MolecularWeight: 338.315401

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Descriptors Computed from Structure

Canonical SMILES:

CC(COP(=O)(O)OC1=CC=CC=C1C2=CC=CC=[N+]2C)OC

Isomeric SMILES

CC(COP(=O)(O)OC1=CC=CC=C1C2=CC=CC=[N+]2C)OC

InChI

InChI=1S/C16H20NO5P/c1-13(20-3)12-21-23(18,19)22-16-10-5-4-8-14(16)15-9-6-7-11-17(15)2/h4-11,13H,12H2,1-3H3/p+1