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

Systemtic Name: 6-methoxy-3-[(6-methylquinolin-8-yl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 6-methoxy-3-[(6-methyl-8-quinolyl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 6-methoxy-3-[(6-methyl-8-quinolinyl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 6-methoxy-3-[(6-methylquinolin-8-yl)methyl]-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: [6-methoxy-3-[(6-methyl-8-quinolyl)methyl]-1,3-benzothiazol-3-ium-2-yl]amine bromide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC4=C3C=CC(=C4)OC)N.[Br-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC4=C3C=CC(=C4)OC)N.[Br-]

InChI

InChI=1S/C19H17N3OS.BrH/c1-12-8-13-4-3-7-21-18(13)14(9-12)11-22-16-6-5-15(23-2)10-17(16)24-19(22)20;/h3-10,20H,11H2,1-2H3;1H