3-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 3-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[(3S)-3-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[(3S)-3-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C16H24N5S+ MolecularWeight: 318.46026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC)[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C16H23N5S/c1-3-21-15(18-19-16(21)22-2)14-7-5-9-20(12-14)11-13-6-4-8-17-10-13/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3/p+1/t14-/m0/s1