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

Systemtic Name: 2-[2-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[5-(2,6-ditert-butyl-4-methyl-1-pyridin-1-iumyl)-1,3,4-thiadiazol-2-yl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[5-(2,6-ditert-butyl-4-methylpyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[5-(2,6-ditert-butyl-4-methyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazol-2-yl]ethyl]isoindoline-1,3-quinone Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C(C)(C)C)C2=NN=C(S2)CCN3C(=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)CCN3C(=O)C4=CC=CC=C4C3=O)C(C)(C)C

InChI

InChI=1S/C26H31N4O2S/c1-16-14-19(25(2,3)4)30(20(15-16)26(5,6)7)24-28-27-21(33-24)12-13-29-22(31)17-10-8-9-11-18(17)23(29)32/h8-11,14-15H,12-13H2,1-7H3/q+1