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

Systemtic Name: N-(1-adamantylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33FN3O+ MolecularWeight: 386.526023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H32FN3O/c24-20-1-3-21(4-2-20)27-7-5-26(6-8-27)15-22(28)25-16-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19H,5-16H2,(H,25,28)/p+1