2-[3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propyl]isoindole-1,3-dione perchlorate

Systemtic Name: 2-[3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propyl]isoindole-1,3-dione perchlorate Openeye Name: 2-[3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propyl]isoindoline-1,3-dione perchlorate CAS Name: 2-[3-[5-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]propyl]isoindole-1,3-dione perchlorate IUPAC Name: 2-[3-[5-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propyl]isoindole-1,3-dione perchlorate Traditional Name: 2-[3-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]propyl]isoindoline-1,3-quinone perchlorate Formula: C27H33ClN4O6S MolecularWeight: 577.09212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=NN=C(S2)CCCN3C(=O)C4=CC=CC=C4C3=O)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=NN=C(S2)CCCN3C(=O)C4=CC=CC=C4C3=O)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H33N4O2S.ClHO4/c1-17-15-20(26(2,3)4)31(21(16-17)27(5,6)7)25-29-28-22(34-25)13-10-14-30-23(32)18-11-8-9-12-19(18)24(30)33;2-1(3,4)5/h8-9,11-12,15-16H,10,13-14H2,1-7H3;(H,2,3,4,5)/q+1;/p-1