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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C17H19N3OS2/c1-20(11-16(21)18-9-8-13-5-4-10-22-13)12-17-19-14-6-2-3-7-15(14)23-17/h2-7,10H,8-9,11-12H2,1H3,(H,18,21)/p+1