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

Systemtic Name: 3-(2-iodanyl-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-pentylsulfanyl-1,2,5-thiadiazole Openeye Name: 3-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-pentylsulfanyl-1,2,5-thiadiazole CAS Name: 3-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-(pentylthio)-1,2,5-thiadiazole IUPAC Name: 3-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-pentylsulfanyl-1,2,5-thiadiazole Traditional Name: 3-(amylthio)-4-(2-iodo-1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole Formula: C15H25IN3S2+ MolecularWeight: 438.41357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSN=C1C2C[N+]3(CC2CCC3I)C

Isomeric SMILES

CCCCCSC1=NSN=C1C2C[N+]3(CC2CCC3I)C

InChI

InChI=1S/C15H25IN3S2/c1-3-4-5-8-20-15-14(17-21-18-15)12-10-19(2)9-11(12)6-7-13(19)16/h11-13H,3-10H2,1-2H3/q+1