N-(4-fluorophenyl)-2-[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[1-oxo-2-(2,4,6-trimethylphenoxy)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H28FN3O3/c1-16-12-17(2)23(18(3)13-16)30-15-22(29)27-10-8-26(9-11-27)14-21(28)25-20-6-4-19(24)5-7-20/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,25,28)/p+1