1-benzothiophen-2-ylmethyl-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-methyl-ammonium Formula: C21H21FN3OS+ MolecularWeight: 382.474343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H20FN3OS/c1-25(13-17-9-14-5-3-4-6-20(14)27-17)12-16-11-23-24-21(16)15-7-8-19(26-2)18(22)10-15/h3-11H,12-13H2,1-2H3,(H,23,24)/p+1