2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]ethyl-dimethyl-ammonium Formula: C19H21ClN3OS2+ MolecularWeight: 406.97254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3OS2/c1-22(2)10-11-23(18(24)13-25-15-6-4-3-5-7-15)19-21-16-9-8-14(20)12-17(16)26-19/h3-9,12H,10-11,13H2,1-2H3/p+1