N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C17H24FN5OS+2 MolecularWeight: 365.468763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN5OS/c1-20-6-11-23(17(20)25)13-22-9-7-21(8-10-22)12-16(24)19-15-4-2-14(18)3-5-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,24)/p+2