2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C12H17ClN3O3+ MolecularWeight: 286.73468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O3/c13-11-9-10(16(18)19)1-2-12(11)15-5-3-14(4-6-15)7-8-17/h1-2,9,17H,3-8H2/p+1