[(1S)-1-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[5-[(2-amino-2-oxoethyl)thio]-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[5-[(2-amino-2-keto-ethyl)thio]-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C13H26N5OS+ MolecularWeight: 300.44344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C13H25N5OS/c1-5-7-8-18-12(10(6-2)17(3)4)15-16-13(18)20-9-11(14)19/h10H,5-9H2,1-4H3,(H2,14,19)/p+1/t10-/m0/s1