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

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

CCCC1=NN=C(N1N)SCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C12H24N6OS/c1-4-6-10-15-16-12(18(10)13)20-9-11(19)14-7-5-8-17(2)3/h4-9,13H2,1-3H3,(H,14,19)/p+1