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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C19H35N6O2S+ MolecularWeight: 411.5852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC(=O)NC2CCCC2)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC(=O)NC2CCCC2)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C19H34N6O2S/c1-5-7-12-25-17(15(6-2)24(3)4)22-23-19(25)28-13-16(26)21-18(27)20-14-10-8-9-11-14/h14-15H,5-13H2,1-4H3,(H2,20,21,26,27)/p+1/t15-/m0/s1