(3S)-3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-(furan-2-ylmethyl)piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-(furan-2-ylmethyl)piperidin-1-ium Openeye Name: (3S)-3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-(2-furylmethyl)piperidin-1-ium CAS Name: (3S)-3-[4-ethyl-5-(ethylthio)-1,2,4-triazol-3-yl]-1-(2-furanylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-1-(furan-2-ylmethyl)piperidin-1-ium Traditional Name: (3S)-3-[4-ethyl-5-(ethylthio)-1,2,4-triazol-3-yl]-1-(2-furfuryl)piperidin-1-ium Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC)C2CCC[NH+](C2)CC3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC)[C@H]2CCC[NH+](C2)CC3=CC=CO3

InChI

InChI=1S/C16H24N4OS/c1-3-20-15(17-18-16(20)22-4-2)13-7-5-9-19(11-13)12-14-8-6-10-21-14/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3/p+1/t13-/m0/s1