1-[3-fluoranyl-4-[4-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H24FN4OS+ MolecularWeight: 399.504863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C)F

InChI

InChI=1S/C21H23FN4OS/c1-15(27)16-7-8-18(17(22)13-16)25-11-9-24(10-12-25)14-26-20-6-4-3-5-19(20)23(2)21(26)28/h3-8,13H,9-12,14H2,1-2H3/p+1