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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C17H28N5OS+ MolecularWeight: 350.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=CN2)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=CN2)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C17H27N5OS/c1-5-7-11-22-16(14(6-2)21(3)4)19-20-17(22)24-12-15(23)13-9-8-10-18-13/h8-10,14,18H,5-7,11-12H2,1-4H3/p+1/t14-/m0/s1