2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C23H24F2N3O+ MolecularWeight: 396.452966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23F2N3O/c24-19-7-3-17(4-8-19)23(18-5-9-20(25)10-6-18)28-14-12-27(13-15-28)16-22(29)21-2-1-11-26-21/h1-11,23,26H,12-16H2/p+1