N-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C18H21N4OS2+ MolecularWeight: 373.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C18H20N4OS2/c23-18(17-4-2-8-24-17)19-10-14-3-1-7-22(12-14)11-13-5-6-15-16(9-13)21-25-20-15/h2,4-6,8-9,14H,1,3,7,10-12H2,(H,19,23)/p+1/t14-/m1/s1