[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[2-keto-2-(2-thenylamino)ethyl]-methyl-ammonium Formula: C17H20N3OS2+ MolecularWeight: 346.4902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+](C)CC(=O)NCC3=CC=CS3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)[NH+](C)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H19N3OS2/c1-12(17-19-14-7-3-4-8-15(14)23-17)20(2)11-16(21)18-10-13-6-5-9-22-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)/p+1/t12-/m0/s1