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

Systemtic Name: 2-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCC[NH+](C2)CC3=CC=CC=C3O

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3O

InChI

InChI=1S/C18H24N4OS/c1-3-11-24-18-20-19-17(21(18)2)15-8-6-10-22(13-15)12-14-7-4-5-9-16(14)23/h3-5,7,9,15,23H,1,6,8,10-13H2,2H3/p+1/t15-/m0/s1