N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H26N5OS2+ MolecularWeight: 380.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C17H25N5OS2/c1-2-21-8-5-14(6-9-21)19-16(23)12-25-17-20-18-13-22(17)10-7-15-4-3-11-24-15/h3-4,11,13-14H,2,5-10,12H2,1H3,(H,19,23)/p+1