2-[4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]piperazin-1-yl]ethanol hydrate dihydrochloride

Systemtic Name: 2-[4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]piperazin-1-yl]ethanol hydrate dihydrochloride Openeye Name: 2-[4-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]piperazin-1-yl]ethanol hydrate dihydrochloride CAS Name: 2-[4-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]-1-piperazinyl]ethanol hydrate dihydrochloride IUPAC Name: 2-[4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]piperazin-1-yl]ethanol hydrate dihydrochloride Traditional Name: 2-[4-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]piperazino]ethanol hydrate dihydrochloride Formula: C21H27Cl2N3O5 MolecularWeight: 472.36218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCO)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].O.Cl.Cl

InChI

InChI=1S/C21H23N3O4.2ClH.H2O/c25-13-12-22-8-10-23(11-9-22)15-16-6-7-19-18(14-16)20(21(28-19)24(26)27)17-4-2-1-3-5-17;;;/h1-7,14,25H,8-13,15H2;2*1H;1H2