4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(2S)-2-(4-fluorophenyl)-1-pyrrolidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C18H19FN3O3+ MolecularWeight: 344.360163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O3/c19-15-7-5-12(6-8-15)16-2-1-9-21(16)11-14-4-3-13(18(20)23)10-17(14)22(24)25/h3-8,10,16H,1-2,9,11H2,(H2,20,23)/p+1/t16-/m0/s1