2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2,4-dinitrophenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethanol Formula: C12H17N4O5+ MolecularWeight: 297.28718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c17-8-7-13-3-5-14(6-4-13)11-2-1-10(15(18)19)9-12(11)16(20)21/h1-2,9,17H,3-8H2/p+1