2-[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C17H26N5O2S+ MolecularWeight: 364.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H25N5O2S/c1-3-22-16(19-20-17(22)25-2)13-6-8-21(9-7-13)12-15(23)18-11-14-5-4-10-24-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,18,23)/p+1