5-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-1,3,4-thiadiazole-2-sulfonamide perchlorate

Systemtic Name: 5-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-1,3,4-thiadiazole-2-sulfonamide perchlorate Openeye Name: 5-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate CAS Name: 5-[4-phenyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]-1,3,4-thiadiazole-2-sulfonamide perchlorate IUPAC Name: 5-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-1,3,4-thiadiazole-2-sulfonamide perchlorate Traditional Name: 5-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Formula: C19H23ClN4O6S2 MolecularWeight: 502.99212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1C2=NN=C(S2)S(=O)(=O)N)C(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)C1=CC(=CC(=[N+]1C2=NN=C(S2)S(=O)(=O)N)C(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H23N4O2S2.ClHO4/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)23(16)18-21-22-19(26-18)27(20,24)25;2-1(3,4)5/h5-13H,1-4H3,(H2,20,24,25);(H,2,3,4,5)/q+1;/p-1