1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(2-nitrophenoxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride Formula: C20H26Cl3N3O4 MolecularWeight: 478.79714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=CC=C3[N+](=O)[O-])O.Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=CC=C3[N+](=O)[O-])O.Cl.Cl

InChI

InChI=1S/C20H24ClN3O4.2ClH/c1-15-6-7-16(21)12-19(15)23-10-8-22(9-11-23)13-17(25)14-28-20-5-3-2-4-18(20)24(26)27;;/h2-7,12,17,25H,8-11,13-14H2,1H3;2*1H