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

Systemtic Name: (3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidin-1-ium Openeye Name: (3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-(2-thienylmethyl)piperidin-1-ium CAS Name: (3S)-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidin-1-ium Traditional Name: (3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-(2-thenyl)piperidin-1-ium Formula: C16H23N4S2+ MolecularWeight: 335.51062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=C)C2CCC[NH+](C2)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC=C)[C@H]2CCC[NH+](C2)CC3=CC=CS3

InChI

InChI=1S/C16H22N4S2/c1-3-9-22-16-18-17-15(19(16)2)13-6-4-8-20(11-13)12-14-7-5-10-21-14/h3,5,7,10,13H,1,4,6,8-9,11-12H2,2H3/p+1/t13-/m0/s1