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

Systemtic Name: 2-[2-(4-fluorophenyl)ethanoyl-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-fluorophenyl)acetyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-fluorophenyl)-1-oxoethyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-fluorophenyl)acetyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-fluorophenyl)acetyl]-(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C19H20FN4O3S+ MolecularWeight: 403.450503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN4O3S/c1-22(2)9-10-23(18(25)11-13-3-5-14(20)6-4-13)19-21-16-8-7-15(24(26)27)12-17(16)28-19/h3-8,12H,9-11H2,1-2H3/p+1