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

Systemtic Name: 2-[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-(4-fluorophenoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C24H29FN3O3+ MolecularWeight: 426.503763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C24H28FN3O3/c25-20-6-10-22(11-7-20)31-21-8-4-19(5-9-21)24(30)28-16-14-26(15-17-28)18-23(29)27-12-2-1-3-13-27/h4-11H,1-3,12-18H2/p+1