[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C23H28FN4O2+ MolecularWeight: 411.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H27FN4O2/c1-5-27(14-18-11-12-21(30-4)20(24)13-18)15-22(29)25-23-16(2)26-28(17(23)3)19-9-7-6-8-10-19/h6-13H,5,14-15H2,1-4H3,(H,25,29)/p+1