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

Systemtic Name: 2-[[5-[(cyclohexylcarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[5-[(cyclohexanecarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[5-[[[cyclohexyl(oxo)methyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[5-[(cyclohexanecarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[5-[(cyclohexanecarbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethyl-dimethyl-ammonium Formula: C15H28N5OS+ MolecularWeight: 326.48072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+](C)C)CNC(=O)C2CCCCC2

Isomeric SMILES

CN1C(=NN=C1SCC[NH+](C)C)CNC(=O)C2CCCCC2

InChI

InChI=1S/C15H27N5OS/c1-19(2)9-10-22-15-18-17-13(20(15)3)11-16-14(21)12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,16,21)/p+1