3-[(6-methylquinolin-8-yl)methyl]-5-phenyl-1,3,4-thiadiazol-3-ium-2-amine bromide

Systemtic Name: 3-[(6-methylquinolin-8-yl)methyl]-5-phenyl-1,3,4-thiadiazol-3-ium-2-amine bromide Openeye Name: 3-[(6-methyl-8-quinolyl)methyl]-5-phenyl-1,3,4-thiadiazol-3-ium-2-amine bromide CAS Name: 3-[(6-methyl-8-quinolinyl)methyl]-5-phenyl-1,3,4-thiadiazol-3-ium-2-amine bromide IUPAC Name: 3-[(6-methylquinolin-8-yl)methyl]-5-phenyl-1,3,4-thiadiazol-3-ium-2-amine bromide Traditional Name: [3-[(6-methyl-8-quinolyl)methyl]-5-phenyl-1,3,4-thiadiazol-3-ium-2-yl]amine bromide Formula: C19H17BrN4S MolecularWeight: 413.33408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC(=N3)C4=CC=CC=C4)N.[Br-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CC=N2)C[N+]3=C(SC(=N3)C4=CC=CC=C4)N.[Br-]

InChI

InChI=1S/C19H16N4S.BrH/c1-13-10-15-8-5-9-21-17(15)16(11-13)12-23-19(20)24-18(22-23)14-6-3-2-4-7-14;/h2-11,20H,12H2,1H3;1H