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

Systemtic Name: N-cyclopropyl-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]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-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]-N-cyclopropylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4CC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4CC4

InChI

InChI=1S/C20H27N5OS/c26-19(21-17-9-10-17)15-27-20-23-22-18(14-24-11-5-2-6-12-24)25(20)13-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,21,26)/p+1