5-methyl-3-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine dibromide

Systemtic Name: 5-methyl-3-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine dibromide Openeye Name: 5-methyl-3-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine dibromide CAS Name: 5-methyl-3-(1-pyridin-1-iumylmethyl)-1,3,4-thiadiazol-3-ium-2-amine dibromide IUPAC Name: 5-methyl-3-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine dibromide Traditional Name: [5-methyl-3-(pyridin-1-ium-1-ylmethyl)-1,3,4-thiadiazol-3-ium-2-yl]amine dibromide Formula: C9H12Br2N4S MolecularWeight: 368.09138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(S1)N)C[N+]2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

CC1=N[N+](=C(S1)N)C[N+]2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C9H11N4S.2BrH/c1-8-11-13(9(10)14-8)7-12-5-3-2-4-6-12;;/h2-6,10H,7H2,1H3;2*1H/q+1;;/p-1