N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantyl)-N-(4-fluorobenzyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

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