2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-ketochromene-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C21H19FN3O3S+ MolecularWeight: 412.457263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H18FN3O3S/c1-24(2)9-10-25(21-23-16-8-7-14(22)12-18(16)29-21)19(26)15-11-13-5-3-4-6-17(13)28-20(15)27/h3-8,11-12H,9-10H2,1-2H3/p+1