3-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide

Systemtic Name: 3-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide Openeye Name: 3-(8-quinolylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide CAS Name: 3-(8-quinolinylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide IUPAC Name: 3-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide Traditional Name: [3-(8-quinolylmethyl)-1,3,4-thiadiazol-3-ium-2-yl]amine bromide Formula: C12H11BrN4S MolecularWeight: 323.21154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C[N+]3=C(SC=N3)N)N=CC=C2.[Br-]

Isomeric SMILES

C1=CC2=C(C(=C1)C[N+]3=C(SC=N3)N)N=CC=C2.[Br-]

InChI

InChI=1S/C12H10N4S.BrH/c13-12-16(15-8-17-12)7-10-4-1-3-9-5-2-6-14-11(9)10;/h1-6,8,13H,7H2;1H