2-[1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[1-[(4-phenethyl-1-piperidin-1-iumyl)methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[1-[(4-phenethylpiperidin-1-ium-1-yl)methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]acetamide Formula: C22H28N5OS2+ MolecularWeight: 442.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC(=O)N

InChI

InChI=1S/C22H27N5OS2/c23-20(28)15-26-21(19-7-4-14-30-19)24-27(22(26)29)16-25-12-10-18(11-13-25)9-8-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H2,23,28)/p+1