3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-ketochromene-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C22H21FN3O3S+ MolecularWeight: 426.483843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H20FN3O3S/c1-25(2)11-6-12-26(22-24-19-16(23)8-5-10-18(19)30-22)20(27)15-13-14-7-3-4-9-17(14)29-21(15)28/h3-5,7-10,13H,6,11-12H2,1-2H3/p+1