5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-4-fluoranyl-2-nitro-aniline

Systemtic Name: 5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-4-fluoranyl-2-nitro-aniline Openeye Name: 5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-4-fluoro-2-nitro-aniline CAS Name: 5-[(3R,5R)-3,5-dimethyl-1-piperazin-4-iumyl]-4-fluoro-2-nitroaniline IUPAC Name: 5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-4-fluoro-2-nitroaniline Traditional Name: [5-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-4-fluoro-2-nitro-phenyl]amine Formula: C12H18FN4O2+ MolecularWeight: 269.295323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=CC(=C(C=C2F)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)C2=CC(=C(C=C2F)[N+](=O)[O-])N

InChI

InChI=1S/C12H17FN4O2/c1-7-5-16(6-8(2)15-7)11-4-10(14)12(17(18)19)3-9(11)13/h3-4,7-8,15H,5-6,14H2,1-2H3/p+1/t7-,8-/m1/s1