1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3OS2/c1-12(17(21)18-10-13-6-5-9-22-13)20(2)11-16-19-14-7-3-4-8-15(14)23-16/h3-9,12H,10-11H2,1-2H3,(H,18,21)/p+1/t12-/m1/s1