5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3-methyl-1,3,4-thiadiazole-2-thione perchlorate

Systemtic Name: 5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3-methyl-1,3,4-thiadiazole-2-thione perchlorate Openeye Name: 5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3-methyl-1,3,4-thiadiazole-2-thione perchlorate CAS Name: 5-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-3-methyl-1,3,4-thiadiazole-2-thione perchlorate IUPAC Name: 5-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-3-methyl-1,3,4-thiadiazole-2-thione perchlorate Traditional Name: 5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3-methyl-1,3,4-thiadiazole-2-thione perchlorate Formula: C17H26ClN3O4S2 MolecularWeight: 435.98904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N3S2.ClHO4/c1-11-9-12(16(2,3)4)20(13(10-11)17(5,6)7)14-18-19(8)15(21)22-14;2-1(3,4)5/h9-10H,1-8H3;(H,2,3,4,5)/q+1;/p-1