[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-yl-azanium

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-yl-azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-[(1-methyl-4-pyrazolyl)methyl]-propan-2-ylammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C25H29FN5O+ MolecularWeight: 434.529063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CN(N=C1)C)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CC1=CN(N=C1)C)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C25H28FN5O/c1-18(2)30(15-19-13-27-29(3)14-19)16-20-17-31(21-8-6-5-7-9-21)28-25(20)23-11-10-22(32-4)12-24(23)26/h5-14,17-18H,15-16H2,1-4H3/p+1