N-(furan-2-ylmethyl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(3S)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[(3S)-3-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]acetamide Formula: C16H24N5O2S+ MolecularWeight: 350.45906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCC[NH+](C2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SC)[C@H]2CCC[NH+](C2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H23N5O2S/c1-20-15(18-19-16(20)24-2)12-5-3-7-21(10-12)11-14(22)17-9-13-6-4-8-23-13/h4,6,8,12H,3,5,7,9-11H2,1-2H3,(H,17,22)/p+1/t12-/m0/s1