[(2S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O/c1-26(2)18(12-15-6-4-3-5-7-15)13-23-21(27)19-14-24-25-20(19)16-8-10-17(22)11-9-16/h3-11,14,18H,12-13H2,1-2H3,(H,23,27)(H,24,25)/p+1/t18-/m0/s1