(2S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-fluorophenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2-fluorobenzyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H22FN4O+ MolecularWeight: 365.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H21FN4O/c22-19-9-2-1-6-16(19)15-25-12-4-10-20(25)21(27)24-17-7-3-8-18(14-17)26-13-5-11-23-26/h1-3,5-9,11,13-14,20H,4,10,12,15H2,(H,24,27)/p+1/t20-/m0/s1