1-(2-fluoranyl-4-nitro-5-pyrrolidin-1-yl-phenyl)-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2-fluoranyl-4-nitro-5-pyrrolidin-1-yl-phenyl)-4-methyl-piperazin-4-ium Openeye Name: 1-(2-fluoro-4-nitro-5-pyrrolidin-1-yl-phenyl)-4-methyl-piperazin-4-ium CAS Name: 1-[2-fluoro-4-nitro-5-(1-pyrrolidinyl)phenyl]-4-methylpiperazin-4-ium IUPAC Name: 1-(2-fluoro-4-nitro-5-pyrrolidin-1-ylphenyl)-4-methylpiperazin-4-ium Traditional Name: 1-(2-fluoro-4-nitro-5-pyrrolidino-phenyl)-4-methyl-piperazin-4-ium Formula: C15H22FN4O2+ MolecularWeight: 309.359183

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCCC3)[N+](=O)[O-])F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C15H21FN4O2/c1-17-6-8-19(9-7-17)13-11-14(18-4-2-3-5-18)15(20(21)22)10-12(13)16/h10-11H,2-9H2,1H3/p+1