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

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 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 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 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 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 Formula: C27H33N4O2S+ MolecularWeight: 477.64152

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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

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

InChI

InChI=1S/C27H33N4O2S/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/h8-9,11-12,15-16H,10,13-14H2,1-7H3/q+1