4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol hydrochloride

Systemtic Name: 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol hydrochloride Openeye Name: 4-[diethoxyphosphoryl-[4-(2-pyridyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol hydrochloride CAS Name: 4-[diethoxyphosphoryl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol hydrochloride IUPAC Name: 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol hydrochloride Traditional Name: 4-[diethoxyphosphoryl-[4-(2-pyridyl)piperazino]methyl]-2,6-dimethoxy-phenol hydrochloride Formula: C22H33ClN3O6P MolecularWeight: 501.940681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N3O6P.ClH/c1-5-30-32(27,31-6-2)22(17-15-18(28-3)21(26)19(16-17)29-4)25-13-11-24(12-14-25)20-9-7-8-10-23-20;/h7-10,15-16,22,26H,5-6,11-14H2,1-4H3;1H