[(1R)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C19H24N3OS3+ MolecularWeight: 406.60836

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCCSC1=NC2=CC=CC=C2S1)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCCSC1=NC2=CC=CC=C2S1)C3=CC=CS3

InChI

InChI=1S/C19H23N3OS3/c1-22(2)15(17-9-5-11-24-17)13-20-18(23)10-6-12-25-19-21-14-7-3-4-8-16(14)26-19/h3-5,7-9,11,15H,6,10,12-13H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1