2-[4-[(2-chloranyl-5-nitro-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[(2-chloranyl-5-nitro-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[(2-chloro-5-nitro-phenyl)methyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[(2-chloro-5-nitrophenyl)methyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[(2-chloro-5-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-(2-chloro-5-nitro-benzyl)piperazine-1,4-diium-1-yl]ethanol Formula: C13H20ClN3O3+2 MolecularWeight: 301.7692

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O3/c14-13-2-1-12(17(19)20)9-11(13)10-16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10H2/p+2