3-butylsulfanyl-4-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazole

Systemtic Name: 3-butylsulfanyl-4-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazole Openeye Name: 3-butylsulfanyl-4-(1-methylquinuclidin-1-ium-3-yl)-1,2,5-thiadiazole CAS Name: 3-(butylthio)-4-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazole IUPAC Name: 3-butylsulfanyl-4-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazole Traditional Name: 3-(butylthio)-4-(1-methylquinuclidin-1-ium-3-yl)-1,2,5-thiadiazole Formula: C14H24N3S2+ MolecularWeight: 298.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NSN=C1C2C[N+]3(CCC2CC3)C

Isomeric SMILES

CCCCSC1=NSN=C1C2C[N+]3(CCC2CC3)C

InChI

InChI=1S/C14H24N3S2/c1-3-4-9-18-14-13(15-19-16-14)12-10-17(2)7-5-11(12)6-8-17/h11-12H,3-10H2,1-2H3/q+1