N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C18H22F3N4O+ MolecularWeight: 367.38869

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=NNC(=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=NNC(=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O/c19-18(20,21)16-11-15(23-24-16)17(26)22-14-7-4-9-25(12-14)10-8-13-5-2-1-3-6-13/h1-3,5-6,11,14H,4,7-10,12H2,(H,22,26)(H,23,24)/p+1/t14-/m0/s1