(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)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=NN2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F

InChI

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