1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

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