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

Systemtic Name: 5-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Openeye Name: 5-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate CAS Name: 5-(2,6-diethyl-4-phenyl-1-pyridin-1-iumyl)-1,3,4-thiadiazole-2-sulfonamide perchlorate IUPAC Name: 5-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Traditional Name: 5-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Formula: C17H19ClN4O6S2 MolecularWeight: 474.93896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1C2=NN=C(S2)S(=O)(=O)N)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=CC(=[N+]1C2=NN=C(S2)S(=O)(=O)N)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H19N4O2S2.ClHO4/c1-3-14-10-13(12-8-6-5-7-9-12)11-15(4-2)21(14)16-19-20-17(24-16)25(18,22)23;2-1(3,4)5/h5-11H,3-4H2,1-2H3,(H2,18,22,23);(H,2,3,4,5)/q+1;/p-1