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

Systemtic Name: 3-[(6-methylquinolin-8-yl)methyl]-1,3,4-thiadiazol-3-ium-2-amine bromide Openeye Name: 3-[(6-methyl-8-quinolyl)methyl]-1,3,4-thiadiazol-3-ium-2-amine bromide CAS Name: 3-[(6-methyl-8-quinolinyl)methyl]-1,3,4-thiadiazol-3-ium-2-amine bromide IUPAC Name: 3-[(6-methylquinolin-8-yl)methyl]-1,3,4-thiadiazol-3-ium-2-amine bromide Traditional Name: [3-[(6-methyl-8-quinolyl)methyl]-1,3,4-thiadiazol-3-ium-2-yl]amine bromide Formula: C13H13BrN4S MolecularWeight: 337.23812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4S.BrH/c1-9-5-10-3-2-4-15-12(10)11(6-9)7-17-13(14)18-8-16-17;/h2-6,8,14H,7H2,1H3;1H