2-[4-[3-[2-(4-chloranylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-[2-(4-chloranylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C20H26ClN4O4+ MolecularWeight: 421.89784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O4/c21-16-1-4-18(5-2-16)29-14-7-22-19-15-17(3-6-20(19)25(27)28)24-10-8-23(9-11-24)12-13-26/h1-6,15,22,26H,7-14H2/p+1