N-(2-adamantyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-adamantyl)-2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-adamantyl)-2-[(2R)-1-(2-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CC=C5F

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NC2C3CC4CC(C3)CC2C4)CC5=CC=CC=C5F

InChI

InChI=1S/C23H30FN3O2/c24-19-4-2-1-3-16(19)13-27-6-5-25-23(29)20(27)12-21(28)26-22-17-8-14-7-15(10-17)11-18(22)9-14/h1-4,14-15,17-18,20,22H,5-13H2,(H,25,29)(H,26,28)/p+1/t14?,15?,17?,18?,20-,22?/m1/s1