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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32FN4O2+ MolecularWeight: 415.524183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H31FN4O2/c24-19-1-3-20(4-2-19)28-7-5-27(6-8-28)15-21(29)25-22(30)26-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2,(H2,25,26,29,30)/p+1