3-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]propyl-dimethyl-ammonium Formula: C15H29N6OS+ MolecularWeight: 341.49536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CSC1=NN=C(N1N)C2CCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=O)CSC1=NN=C(N1N)C2CCCCC2

InChI

InChI=1S/C15H28N6OS/c1-20(2)10-6-9-17-13(22)11-23-15-19-18-14(21(15)16)12-7-4-3-5-8-12/h12H,3-11,16H2,1-2H3,(H,17,22)/p+1