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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CS3

InChI

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