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

Systemtic Name: (3S)-1-(furan-3-ylmethyl)-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-(3-furylmethyl)piperidin-1-ium CAS Name: (3S)-1-(3-furanylmethyl)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-1-(furan-3-ylmethyl)-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-(3-furfuryl)piperidin-1-ium Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-3-9-22-16-18-17-15(19(16)2)14-5-4-7-20(11-14)10-13-6-8-21-12-13/h3,6,8,12,14H,1,4-5,7,9-11H2,2H3/p+1/t14-/m0/s1