N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: 2-methoxy-N-[2-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H25N6O2S+ MolecularWeight: 449.5486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H24N6O2S/c1-31-21-5-3-2-4-18(21)23(30)25-22-8-11-24-29(22)17-9-12-28(13-10-17)15-16-6-7-19-20(14-16)27-32-26-19/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,25,30)/p+1