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

Systemtic Name: 2-[[4-(phenylmethyl)-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C17H23N5OS/c18-15(23)13-24-17-20-19-16(12-21-9-5-2-6-10-21)22(17)11-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H2,18,23)/p+1