N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]propionamide Formula: C20H26F3N4O2+ MolecularWeight: 411.44125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC[NH+]3CCCC(C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC[NH+]3CCC[C@@H](C3)C(F)(F)F

InChI

InChI=1S/C20H25F3N4O2/c1-14-18(19(29)27(25(14)2)16-8-4-3-5-9-16)24-17(28)10-12-26-11-6-7-15(13-26)20(21,22)23/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,24,28)/p+1/t15-/m0/s1