(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2-fluoro-4-methoxy-benzyl)-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4)F

InChI

InChI=1S/C22H23FN4O2/c1-29-19-10-5-16(20(23)14-19)15-26-12-2-4-21(26)22(28)25-17-6-8-18(9-7-17)27-13-3-11-24-27/h3,5-11,13-14,21H,2,4,12,15H2,1H3,(H,25,28)/p+1/t21-/m0/s1