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

Systemtic Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: 3-phenyl-N-[2-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C24H27N6OS+ MolecularWeight: 447.57578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C24H26N6OS/c31-24(9-7-18-4-2-1-3-5-18)26-23-10-13-25-30(23)20-11-14-29(15-12-20)17-19-6-8-21-22(16-19)28-32-27-21/h1-6,8,10,13,16,20H,7,9,11-12,14-15,17H2,(H,26,31)/p+1