2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(4-fluorophenoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O3/c24-19-5-9-21(10-6-19)30-20-7-3-18(4-8-20)23(29)27-15-13-25(14-16-27)17-22(28)26-11-1-2-12-26/h3-10H,1-2,11-17H2/p+1