3-butylsulfanyl-4-(2-iodanyl-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole

Systemtic Name: 3-butylsulfanyl-4-(2-iodanyl-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole Openeye Name: 3-butylsulfanyl-4-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole CAS Name: 3-(butylthio)-4-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole IUPAC Name: 3-butylsulfanyl-4-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole Traditional Name: 3-(butylthio)-4-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole Formula: C14H23IN3S2+ MolecularWeight: 424.38699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NSN=C1C2C[N+]3(CC2CCC3I)C

Isomeric SMILES

CCCCSC1=NSN=C1C2C[N+]3(CC2CCC3I)C

InChI

InChI=1S/C14H23IN3S2/c1-3-4-7-19-14-13(16-20-17-14)11-9-18(2)8-10(11)5-6-12(18)15/h10-12H,3-9H2,1-2H3/q+1