[(1R)-2-(1,3-benzothiazol-6-ylcarbonylamino)-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-(1,3-benzothiazol-6-ylcarbonylamino)-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-(1,3-benzothiazole-6-carbonylamino)-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-(1,3-benzothiazole-6-carbonylamino)-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-(1,3-benzothiazole-6-carbonylamino)-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H18N3OS2+ MolecularWeight: 332.46362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)N=CS2)C3=CC=CS3

InChI

InChI=1S/C16H17N3OS2/c1-19(2)13(14-4-3-7-21-14)9-17-16(20)11-5-6-12-15(8-11)22-10-18-12/h3-8,10,13H,9H2,1-2H3,(H,17,20)/p+1/t13-/m1/s1