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

Systemtic Name: 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol hydrochloride Openeye Name: 4-[diethoxyphosphoryl-[4-(2-pyridyl)piperazin-1-yl]methyl]phenol hydrochloride CAS Name: 4-[diethoxyphosphoryl-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenol hydrochloride IUPAC Name: 4-[diethoxyphosphoryl-(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol hydrochloride Traditional Name: 4-[diethoxyphosphoryl-[4-(2-pyridyl)piperazino]methyl]phenol hydrochloride Formula: C20H29ClN3O4P MolecularWeight: 441.888721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N3O4P.ClH/c1-3-26-28(25,27-4-2)20(17-8-10-18(24)11-9-17)23-15-13-22(14-16-23)19-7-5-6-12-21-19;/h5-12,20,24H,3-4,13-16H2,1-2H3;1H