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

Systemtic Name: 3-[2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]propyl-dimethyl-ammonium Formula: C12H25N6OS+ MolecularWeight: 301.4315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C12H24N6OS/c1-9(2)11-15-16-12(18(11)13)20-8-10(19)14-6-5-7-17(3)4/h9H,5-8,13H2,1-4H3,(H,14,19)/p+1