5-(2,4-dimethyl-6-propan-2-yl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate

Systemtic Name: 5-(2,4-dimethyl-6-propan-2-yl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Openeye Name: 5-(2-isopropyl-4,6-dimethyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate CAS Name: 5-(2,4-dimethyl-6-propan-2-yl-1-pyridin-1-iumyl)-1,3,4-thiadiazole-2-sulfonamide perchlorate IUPAC Name: 5-(2,4-dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Traditional Name: 5-(2-isopropyl-4,6-dimethyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Formula: C12H17ClN4O6S2 MolecularWeight: 412.86958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)C)C2=NN=C(S2)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)C)C2=NN=C(S2)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H17N4O2S2.ClHO4/c1-7(2)10-6-8(3)5-9(4)16(10)11-14-15-12(19-11)20(13,17)18;2-1(3,4)5/h5-7H,1-4H3,(H2,13,17,18);(H,2,3,4,5)/q+1;/p-1