N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-fluoranyl-4-nitro-aniline

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-fluoranyl-4-nitro-aniline Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-fluoro-4-nitro-aniline CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-fluoro-4-nitroaniline IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-fluoro-4-nitroaniline Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(2-fluoro-4-nitro-phenyl)amine Formula: C13H19FN3O2+ MolecularWeight: 268.307263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C13H18FN3O2/c1-2-16-7-3-4-11(16)9-15-13-6-5-10(17(18)19)8-12(13)14/h5-6,8,11,15H,2-4,7,9H2,1H3/p+1/t11-/m0/s1