1-methyl-4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]piperazine dihydrate dihydrochloride

Systemtic Name: 1-methyl-4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]piperazine dihydrate dihydrochloride Openeye Name: 1-methyl-4-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]piperazine dihydrate dihydrochloride CAS Name: 1-methyl-4-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]piperazine dihydrate dihydrochloride IUPAC Name: 1-methyl-4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]piperazine dihydrate dihydrochloride Traditional Name: 1-methyl-4-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]piperazine dihydrate dihydrochloride Formula: C20H27Cl2N3O5 MolecularWeight: 460.35148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].O.O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].O.O.Cl.Cl

InChI

InChI=1S/C20H21N3O3.2ClH.2H2O/c1-21-9-11-22(12-10-21)14-15-7-8-18-17(13-15)19(20(26-18)23(24)25)16-5-3-2-4-6-16;;;;/h2-8,13H,9-12,14H2,1H3;2*1H;2*1H2