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

Systemtic Name: (2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2-fluoro-4-methoxy-benzyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O2/c1-30-20-11-6-17(21(24)15-20)16-27-13-3-2-5-22(27)23(29)26-18-7-9-19(10-8-18)28-14-4-12-25-28/h4,6-12,14-15,22H,2-3,5,13,16H2,1H3,(H,26,29)/p+1/t22-/m0/s1