N-(4-fluorophenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-morpholin-4-ium-4-ylethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H30FN5O2S+2 MolecularWeight: 411.537203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H28FN5O2S/c20-16-1-3-17(4-2-16)22-18(26)15-24-7-9-25(10-8-24)19(28)21-5-6-23-11-13-27-14-12-23/h1-4H,5-15H2,(H,21,28)(H,22,26)/p+2