N,N-diethyl-2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[4-(4-fluorophenoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O3/c1-3-26(4-2)22(28)17-25-13-15-27(16-14-25)23(29)18-5-9-20(10-6-18)30-21-11-7-19(24)8-12-21/h5-12H,3-4,13-17H2,1-2H3/p+1