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

Systemtic Name: 5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Openeye Name: 5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate CAS Name: 5-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-1,3,4-thiadiazole-2-sulfonamide perchlorate IUPAC Name: 5-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Traditional Name: 5-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-sulfonamide perchlorate Formula: C15H15ClN4O6S2 MolecularWeight: 446.8858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=NN=C(S2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=NN=C(S2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H15N4O2S2.ClHO4/c1-10-8-13(12-6-4-3-5-7-12)9-11(2)19(10)14-17-18-15(22-14)23(16,20)21;2-1(3,4)5/h3-9H,1-2H3,(H2,16,20,21);(H,2,3,4,5)/q+1;/p-1