2-[4-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,4-dinitro-phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,4-dinitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,4-dinitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2,4-dinitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,4-dinitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2,4-dinitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C18H30N6O6+2 MolecularWeight: 426.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC[NH+](CC3)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC[NH+](CC3)CCO

InChI

InChI=1S/C18H28N6O6/c25-11-9-19-1-5-21(6-2-19)15-13-16(18(24(29)30)14-17(15)23(27)28)22-7-3-20(4-8-22)10-12-26/h13-14,25-26H,1-12H2/p+2