3-[4-methyl-6-(trifluoromethylsulfanyl)quinolin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-methyl-6-(trifluoromethylsulfanyl)quinolin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-methyl-6-(trifluoromethylsulfanyl)quinolin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-methyl-6-(trifluoromethylthio)-1-quinolin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-methyl-6-(trifluoromethylsulfanyl)quinolin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-methyl-6-(trifluoromethylthio)quinolin-1-ium-1-yl]propane-1-sulfonic acid Formula: C14H15F3NO3S2+ MolecularWeight: 366.39901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=[N+](C=C1)CCCS(=O)(=O)O)SC(F)(F)F

Isomeric SMILES

CC1=C2C=C(C=CC2=[N+](C=C1)CCCS(=O)(=O)O)SC(F)(F)F

InChI

InChI=1S/C14H14F3NO3S2/c1-10-5-7-18(6-2-8-23(19,20)21)13-4-3-11(9-12(10)13)22-14(15,16)17/h3-5,7,9H,2,6,8H2,1H3/p+1