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

Systemtic Name: [(1S)-1-[4-butyl-5-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C17H32N5OS+ MolecularWeight: 354.53388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2CC2)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1S[C@H](C)C(=O)NC2CC2)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C17H31N5OS/c1-6-8-11-22-15(14(7-2)21(4)5)19-20-17(22)24-12(3)16(23)18-13-9-10-13/h12-14H,6-11H2,1-5H3,(H,18,23)/p+1/t12-,14+/m1/s1