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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)C5=CC=CS5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC4=NSN=C4C=C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H28N4OS2/c1-29(26(31)25-8-5-15-32-25)24(17-19-6-3-2-4-7-19)21-11-13-30(14-12-21)18-20-9-10-22-23(16-20)28-33-27-22/h2-10,15-16,21,24H,11-14,17-18H2,1H3/p+1/t24-/m1/s1