1-(4-bromanyl-2-nitro-phenyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-2-nitro-phenyl)piperazin-4-ium Openeye Name: 1-(4-bromo-2-nitro-phenyl)piperazin-4-ium CAS Name: 1-(4-bromo-2-nitrophenyl)piperazin-4-ium IUPAC Name: 1-(4-bromo-2-nitrophenyl)piperazin-4-ium Traditional Name: 1-(4-bromo-2-nitro-phenyl)piperazin-4-ium Formula: C10H13BrN3O2+ MolecularWeight: 287.13312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C10H12BrN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2/p+1