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

Systemtic Name: 2-[(4-fluorophenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluorobenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluorobenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluorobenzoyl)-[4-(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=CC=C2SC)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)F

InChI

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