2-bromanyl-4-fluoranyl-6-nitro-3-piperazin-4-ium-1-yl-aniline

Systemtic Name: 2-bromanyl-4-fluoranyl-6-nitro-3-piperazin-4-ium-1-yl-aniline Openeye Name: 2-bromo-4-fluoro-6-nitro-3-piperazin-4-ium-1-yl-aniline CAS Name: 2-bromo-4-fluoro-6-nitro-3-(1-piperazin-4-iumyl)aniline IUPAC Name: 2-bromo-4-fluoro-6-nitro-3-piperazin-4-ium-1-ylaniline Traditional Name: (2-bromo-4-fluoro-6-nitro-3-piperazin-4-ium-1-yl-phenyl)amine Formula: C10H13BrFN4O2+ MolecularWeight: 320.138223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C(=C2Br)N)[N+](=O)[O-])F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C(=C2Br)N)[N+](=O)[O-])F

InChI

InChI=1S/C10H12BrFN4O2/c11-8-9(13)7(16(17)18)5-6(12)10(8)15-3-1-14-2-4-15/h5,14H,1-4,13H2/p+1