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

Systemtic Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H25N5OS/c27-21(23-14-18-2-1-9-22-13-18)6-4-16-7-10-26(11-8-16)15-17-3-5-19-20(12-17)25-28-24-19/h1-3,5,9,12-13,16H,4,6-8,10-11,14-15H2,(H,23,27)/p+1