2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C18H28N5O2S+ MolecularWeight: 378.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CO3

InChI

InChI=1S/C18H27N5O2S/c1-3-9-22-10-7-14(8-11-22)19-16(24)13-26-18-21-20-17(23(18)4-2)15-6-5-12-25-15/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H,19,24)/p+1