2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H23FN5OS+ MolecularWeight: 412.503623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSC3=NC=CN3C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5OS/c22-18-2-1-3-19(14-18)27-9-8-24-21(27)29-16-20(28)26-12-10-25(11-13-26)15-17-4-6-23-7-5-17/h1-9,14H,10-13,15-16H2/p+1