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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C12H22N5OS+ MolecularWeight: 284.40098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NCC[NH+]2CCCCC2

Isomeric SMILES

CN1C=NN=C1SCC(=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C12H21N5OS/c1-16-10-14-15-12(16)19-9-11(18)13-5-8-17-6-3-2-4-7-17/h10H,2-9H2,1H3,(H,13,18)/p+1