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

Systemtic Name: 3-(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-pentylsulfanyl-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-pentylsulfanyl-1,2,5-thiadiazole CAS Name: 3-(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-(pentylthio)-1,2,5-thiadiazole IUPAC Name: 3-(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-4-pentylsulfanyl-1,2,5-thiadiazole Traditional Name: 3-(amylthio)-4-(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl)-1,2,5-thiadiazole Formula: C15H26N3S2+ MolecularWeight: 312.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSN=C1C2C[N+]3(CCCC2C3)C

Isomeric SMILES

CCCCCSC1=NSN=C1C2C[N+]3(CCCC2C3)C

InChI

InChI=1S/C15H26N3S2/c1-3-4-5-9-19-15-14(16-20-17-15)13-11-18(2)8-6-7-12(13)10-18/h12-13H,3-11H2,1-2H3/q+1