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2-[4-(5-azanyl-4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol

2-[4-(5-azanyl-4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name:2-[4-(5-azanyl-4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol
Openeye Name:2-[4-(5-amino-4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol
CAS Name:2-[4-(5-amino-4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]ethanol
IUPAC Name:2-[4-(5-amino-4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]ethanol
Traditional Name:2-[4-(5-amino-4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanol
Formula: C12H18ClN4O3+
MolecularWeight: 301.74932
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H17ClN4O3/c13-9-7-12(17(19)20)11(8-10(9)14)16-3-1-15(2-4-16)5-6-18/h7-8,18H,1-6,14H2/p+1


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