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

Systemtic Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C21H22N7OS+ MolecularWeight: 420.51068

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H21N7OS/c29-21(16-2-1-8-22-13-16)24-20-5-9-23-28(20)17-6-10-27(11-7-17)14-15-3-4-18-19(12-15)26-30-25-18/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,24,29)/p+1