(3S)-1-(2-fluoranyl-4-nitro-phenyl)-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-(2-fluoranyl-4-nitro-phenyl)-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-(2-fluoro-4-nitro-phenyl)-3-methyl-piperazin-4-ium CAS Name: (3S)-1-(2-fluoro-4-nitrophenyl)-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-(2-fluoro-4-nitrophenyl)-3-methylpiperazin-4-ium Traditional Name: (3S)-1-(2-fluoro-4-nitro-phenyl)-3-methyl-piperazin-4-ium Formula: C11H15FN3O2+ MolecularWeight: 240.254103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14FN3O2/c1-8-7-14(5-4-13-8)11-3-2-9(15(16)17)6-10(11)12/h2-3,6,8,13H,4-5,7H2,1H3/p+1/t8-/m0/s1