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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2-oxochromene-3-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2-oxochromene-3-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(2-ketochromene-3-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C21H20N3O3S+ MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-23(2)11-12-24(21-22-16-8-4-6-10-18(16)28-21)19(25)15-13-14-7-3-5-9-17(14)27-20(15)26/h3-10,13H,11-12H2,1-2H3/p+1