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

Systemtic Name: (3S)-1-(cyclohexylmethyl)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Openeye Name: (3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-(cyclohexylmethyl)piperidin-1-ium CAS Name: (3S)-1-(cyclohexylmethyl)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-1-(cyclohexylmethyl)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: (3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-(cyclohexylmethyl)piperidin-1-ium Formula: C18H31N4S+ MolecularWeight: 335.53054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C18H30N4S/c1-3-12-23-18-20-19-17(21(18)2)16-10-7-11-22(14-16)13-15-8-5-4-6-9-15/h3,15-16H,1,4-14H2,2H3/p+1/t16-/m0/s1