2-[[5-[(furan-2-ylcarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-[(furan-2-ylcarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[5-[[[2-furanyl(oxo)methyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[5-[(2-furoylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethyl-dimethyl-ammonium Formula: C13H20N5O2S+ MolecularWeight: 310.3952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+](C)C)CNC(=O)C2=CC=CO2

Isomeric SMILES

CN1C(=NN=C1SCC[NH+](C)C)CNC(=O)C2=CC=CO2

InChI

InChI=1S/C13H19N5O2S/c1-17(2)6-8-21-13-16-15-11(18(13)3)9-14-12(19)10-5-4-7-20-10/h4-5,7H,6,8-9H2,1-3H3,(H,14,19)/p+1