1-(4-nitrophenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(4-nitrophenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-nitrophenoxy)propan-2-ol dihydrochloride CAS Name: 1-(4-nitrophenoxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-nitrophenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzylpiperazino)-3-(4-nitrophenoxy)propan-2-ol dihydrochloride Formula: C20H27Cl2N3O4 MolecularWeight: 444.35208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl.Cl

InChI

InChI=1S/C20H25N3O4.2ClH/c24-19(16-27-20-8-6-18(7-9-20)23(25)26)15-22-12-10-21(11-13-22)14-17-4-2-1-3-5-17;;/h1-9,19,24H,10-16H2;2*1H