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

Systemtic Name: N-(1-adamantyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantyl)-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantyl)-N-(4-fluorobenzyl)acetamide Formula: C25H35FN3O2+ MolecularWeight: 428.562703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34FN3O2/c1-18(30)28-8-6-27(7-9-28)17-24(31)29(16-19-2-4-23(26)5-3-19)25-13-20-10-21(14-25)12-22(11-20)15-25/h2-5,20-22H,6-17H2,1H3/p+1