4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H28FN4O+ MolecularWeight: 395.493023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCCC(C3)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H27FN4O/c1-17-22(23(29)28(26(17)2)21-11-4-3-5-12-21)16-27-13-7-10-20(15-27)25-19-9-6-8-18(24)14-19/h3-6,8-9,11-12,14,20,25H,7,10,13,15-16H2,1-2H3/p+1/t20-/m0/s1