1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-(2-thioxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-(2-thioxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]butan-1-one Formula: C22H25FN3OS+ MolecularWeight: 398.516803

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)/p+1