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

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-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(S1)C=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

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

InChI

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