N-(1-adamantyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-(1-adamantyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide CAS Name: N-(1-adamantyl)-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(1-adamantyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(1-adamantyl)-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]oxazole-4-carboxamide Formula: C25H32FN4O2+ MolecularWeight: 439.545583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6F

InChI

InChI=1S/C25H31FN4O2/c26-20-3-1-2-4-22(20)30-7-5-29(6-8-30)15-23-27-21(16-32-23)24(31)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-4,16-19H,5-15H2,(H,28,31)/p+1