N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H28N5OS2+ MolecularWeight: 490.66342

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27N5OS2/c32-24(27-21-13-15-30(16-14-21)18-20-8-3-1-4-9-20)19-34-26-29-28-25(23-12-7-17-33-23)31(26)22-10-5-2-6-11-22/h1-12,17,21H,13-16,18-19H2,(H,27,32)/p+1