3-[4-ethyl-1-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-1-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-(1-piperidin-1-iumylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-(piperidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-(piperidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C13H24N5OS+ MolecularWeight: 298.42756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCCC2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCCC2)CCC(=O)N

InChI

InChI=1S/C13H23N5OS/c1-2-17-12(7-6-11(14)19)15-18(13(17)20)10-16-8-4-3-5-9-16/h2-10H2,1H3,(H2,14,19)/p+1