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

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanol Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c16-10-9-13-5-7-14(8-6-13)11-1-3-12(4-2-11)15(17)18/h1-4,16H,5-10H2/p+1