6-ethoxy-3-[(6-methylquinolin-8-yl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide

Systemtic Name: 6-ethoxy-3-[(6-methylquinolin-8-yl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 6-ethoxy-3-[(6-methyl-8-quinolyl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 6-ethoxy-3-[(6-methyl-8-quinolinyl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 6-ethoxy-3-[(6-methylquinolin-8-yl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: [6-ethoxy-3-[(6-methyl-8-quinolyl)methyl]-1,3-benzothiazol-3-ium-2-yl]amine bromide Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=C4C(=CC(=C3)C)C=CC=N4.[Br-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=C(S2)N)CC3=C4C(=CC(=C3)C)C=CC=N4.[Br-]

InChI

InChI=1S/C20H19N3OS.BrH/c1-3-24-16-6-7-17-18(11-16)25-20(21)23(17)12-15-10-13(2)9-14-5-4-8-22-19(14)15;/h4-11,21H,3,12H2,1-2H3;1H