3-[4-methyl-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C(=S)N(C(=N2)CCC(=O)N)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C(=S)N(C(=N2)CCC(=O)N)C

InChI

InChI=1S/C13H23N5OS/c1-10-4-3-7-17(8-10)9-18-13(20)16(2)12(15-18)6-5-11(14)19/h10H,3-9H2,1-2H3,(H2,14,19)/p+1/t10-/m0/s1