2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[(4-nitrophenyl)methyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-(4-nitrobenzyl)piperazine-1,4-diium-1-yl]ethanol Formula: C13H21N3O3+2 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c17-10-9-14-5-7-15(8-6-14)11-12-1-3-13(4-2-12)16(18)19/h1-4,17H,5-11H2/p+2