2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C13H19N4S2+ MolecularWeight: 295.44676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C13H18N4S2/c1-10-4-2-6-16(8-10)9-17-13(18)14-12(15-17)11-5-3-7-19-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,14,15,18)/p+1/t10-/m0/s1