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

Systemtic Name: 5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Openeye Name: 5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate CAS Name: 5-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-3H-1,3,4-thiadiazole-2-thione perchlorate IUPAC Name: 5-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Traditional Name: 5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-3H-1,3,4-thiadiazole-2-thione perchlorate Formula: C16H24ClN3O4S2 MolecularWeight: 421.96246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S2.ClHO4/c1-10-8-11(15(2,3)4)19(12(9-10)16(5,6)7)13-17-18-14(20)21-13;2-1(3,4)5/h8-9H,1-7H3;(H,2,3,4,5)