N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide

Systemtic Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide Openeye Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide CAS Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-3-thiophenecarboxamide IUPAC Name: N-[(1R)-1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-3-carboxamide Traditional Name: N-methyl-N-[(1R)-2-phenyl-1-[1-(piazthiol-5-ylmethyl)piperidin-1-ium-4-yl]ethyl]thiophene-3-carboxamide Formula: C26H29N4OS2+ MolecularWeight: 477.66466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)C5=CSC=C5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)C5=CSC=C5

InChI

InChI=1S/C26H28N4OS2/c1-29(26(31)22-11-14-32-18-22)25(16-19-5-3-2-4-6-19)21-9-12-30(13-10-21)17-20-7-8-23-24(15-20)28-33-27-23/h2-8,11,14-15,18,21,25H,9-10,12-13,16-17H2,1H3/p+1/t25-/m1/s1