1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C20H25N3O5.ClH/c1-27-19-6-2-16(3-7-19)22-12-10-21(11-13-22)14-18(24)15-28-20-8-4-17(5-9-20)23(25)26;/h2-9,18,24H,10-15H2,1H3;1H