2-[(4-fluorophenyl)carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-fluorophenyl)carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluorobenzoyl)-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluorobenzoyl)-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluorobenzoyl)-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethyl-ammonium Formula: C19H21FN3OS2+ MolecularWeight: 390.517943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3OS2/c1-22(2)10-11-23(18(24)13-4-6-14(20)7-5-13)19-21-16-9-8-15(25-3)12-17(16)26-19/h4-9,12H,10-11H2,1-3H3/p+1