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

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-methyl-azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-methylammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-methylazanium Traditional Name: [5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-methyl-(piazthiol-5-ylmethyl)ammonium Formula: C19H19FN5OS+ MolecularWeight: 384.450463

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=NSN=C2C=C1)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

C[NH+](CC1=CC2=NSN=C2C=C1)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C19H18FN5OS/c1-25(10-12-3-5-16-17(7-12)24-27-23-16)11-14-9-21-22-19(14)13-4-6-18(26-2)15(20)8-13/h3-9H,10-11H2,1-2H3,(H,21,22)/p+1