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

Systemtic Name: (2S)-1-[(4-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(4-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(4-fluorophenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(4-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(4-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=C(C=C2)F)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

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