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

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-fluorobenzyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O/c23-21-10-2-1-6-17(21)15-26-12-4-7-18(16-26)22(28)25-19-8-3-9-20(14-19)27-13-5-11-24-27/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,25,28)/p+1/t18-/m0/s1