2-[4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3-oxazol-3-yl]methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3-oxazol-3-yl]methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[[5-(4-fluorophenyl)-2-thioxo-oxazol-3-yl]methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[5-(4-fluorophenyl)-2-sulfanylidene-3-oxazolyl]methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3-oxazol-3-yl]methyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[[5-(4-fluorophenyl)-2-thioxo-4-oxazolin-3-yl]methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C19H26FN4O2S+ MolecularWeight: 393.498743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)CN2C=C(OC2=S)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)CN2C=C(OC2=S)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN4O2S/c1-14(2)21-18(25)12-22-7-9-23(10-8-22)13-24-11-17(26-19(24)27)15-3-5-16(20)6-4-15/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,21,25)/p+1