2-[5-(2,4,6-trimethylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine

Systemtic Name: 2-[5-(2,4,6-trimethylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine Openeye Name: 2-[5-(2,4,6-trimethylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine CAS Name: 2-[5-(2,4,6-trimethyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]ethanamine IUPAC Name: 2-[5-(2,4,6-trimethylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethanamine Traditional Name: 2-[5-(2,4,6-trimethylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethylamine Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=NN=C(S2)CCN)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=NN=C(S2)CCN)C

InChI

InChI=1S/C12H17N4S/c1-8-6-9(2)16(10(3)7-8)12-15-14-11(17-12)4-5-13/h6-7H,4-5,13H2,1-3H3/q+1