1-[5-[1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-4-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[5-[1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-4-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[5-[1-(3,3-dimethyl-2-oxo-butyl)pyridin-1-ium-4-yl]-2-thioxo-1,3,4-oxadiazol-3-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[5-[1-(3,3-dimethyl-2-oxobutyl)-4-pyridin-1-iumyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[5-[1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium-4-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[5-[1-(2-keto-3,3-dimethyl-butyl)pyridin-1-ium-4-yl]-2-thioxo-1,3,4-oxadiazol-3-yl]-3,3-dimethyl-butan-2-one Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=S)OC(=N1)C2=CC=[N+](C=C2)CC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=S)OC(=N1)C2=CC=[N+](C=C2)CC(=O)C(C)(C)C

InChI

InChI=1S/C19H26N3O3S/c1-18(2,3)14(23)11-21-9-7-13(8-10-21)16-20-22(17(26)25-16)12-15(24)19(4,5)6/h7-10H,11-12H2,1-6H3/q+1