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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(2-oxidanylidenechromen-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(2-oxochromene-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(2-oxochromene-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(2-ketochromene-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-24(2)12-7-13-25(22-23-17-9-4-6-11-19(17)29-22)20(26)16-14-15-8-3-5-10-18(15)28-21(16)27/h3-6,8-11,14H,7,12-13H2,1-2H3/p+1