N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25FN5OS+ MolecularWeight: 390.498103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2F)C3=NC=CC=N3

InChI

InChI=1S/C19H24FN5OS/c20-17-5-2-1-4-16(17)15-27-13-8-21-18(26)14-24-9-11-25(12-10-24)19-22-6-3-7-23-19/h1-7H,8-15H2,(H,21,26)/p+1