[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(thiazol-2-ylmethyl)ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-(2-thiazolylmethyl)ammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(thiazol-2-ylmethyl)ammonium Formula: C22H22FN4OS+ MolecularWeight: 409.499683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=C(C=C(C=C2)OC)F)C3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=C(C=C(C=C2)OC)F)C3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C22H21FN4OS/c1-26(15-21-24-10-11-29-21)13-16-14-27(17-6-4-3-5-7-17)25-22(16)19-9-8-18(28-2)12-20(19)23/h3-12,14H,13,15H2,1-2H3/p+1