2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[(3S)-3-methylolpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C10H19N4OS+ MolecularWeight: 243.34906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCCC(C2)CO

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCC[C@@H](C2)CO

InChI

InChI=1S/C10H18N4OS/c1-12-7-11-14(10(12)16)8-13-4-2-3-9(5-13)6-15/h7,9,15H,2-6,8H2,1H3/p+1/t9-/m0/s1