4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-methoxy-phenol chloride

Systemtic Name: 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-methoxy-phenol chloride Openeye Name: 4-[diethoxyphosphoryl-[4-(2-pyridyl)piperazin-1-yl]methyl]-2-methoxy-phenol chloride CAS Name: 4-[diethoxyphosphoryl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-methoxyphenol chloride IUPAC Name: 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-methoxyphenol chloride Traditional Name: 4-[diethoxyphosphoryl-[4-(2-pyridyl)piperazino]methyl]-2-methoxy-phenol chloride Formula: C21H30ClN3O5P- MolecularWeight: 470.906761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=C(C=C1)O)OC)N2CCN(CC2)C3=CC=CC=N3)OCC.[Cl-]

Isomeric SMILES

CCOP(=O)(C(C1=CC(=C(C=C1)O)OC)N2CCN(CC2)C3=CC=CC=N3)OCC.[Cl-]

InChI

InChI=1S/C21H30N3O5P.ClH/c1-4-28-30(26,29-5-2)21(17-9-10-18(25)19(16-17)27-3)24-14-12-23(13-15-24)20-8-6-7-11-22-20;/h6-11,16,21,25H,4-5,12-15H2,1-3H3;1H/p-1