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

Systemtic Name: 3-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[(3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[(3S)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[(3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C17H24N5S+ MolecularWeight: 330.47096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C17H23N5S/c1-3-10-23-17-20-19-16(21(17)2)15-7-5-9-22(13-15)12-14-6-4-8-18-11-14/h3-4,6,8,11,15H,1,5,7,9-10,12-13H2,2H3/p+1/t15-/m0/s1