(2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C16H20FN4O+ MolecularWeight: 303.354603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C16H19FN4O/c1-20-9-11(10-21-8-4-7-14(21)16(18)22)15(19-20)12-5-2-3-6-13(12)17/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H2,18,22)/p+1/t14-/m0/s1