5-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole

Systemtic Name: 5-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole Openeye Name: 5-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole CAS Name: 5-[[4-(4-phenyl-1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]-2,1,3-benzothiadiazole IUPAC Name: 5-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole Traditional Name: 5-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]piazthiole Formula: C21H22N5S+ MolecularWeight: 376.49788

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)C3=CC=CC=C3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)C3=CC=CC=C3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H21N5S/c1-2-4-16(5-3-1)18-13-22-23-21(18)17-8-10-26(11-9-17)14-15-6-7-19-20(12-15)25-27-24-19/h1-7,12-13,17H,8-11,14H2,(H,22,23)/p+1