2-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-ium-1-yl]ethanol chloride

Systemtic Name: 2-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-ium-1-yl]ethanol chloride Openeye Name: 2-[4-(2-chloro-6-nitro-phenyl)piperazin-1-ium-1-yl]ethanol chloride CAS Name: 2-[4-(2-chloro-6-nitrophenyl)-1-piperazin-1-iumyl]ethanol chloride IUPAC Name: 2-[4-(2-chloro-6-nitrophenyl)piperazin-1-ium-1-yl]ethanol chloride Traditional Name: 2-[4-(2-chloro-6-nitro-phenyl)piperazin-1-ium-1-yl]ethanol chloride Formula: C12H17Cl2N3O3 MolecularWeight: 322.18768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=CC=C2Cl)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=CC=C2Cl)[N+](=O)[O-].[Cl-]

InChI

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