[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone Formula: C25H25F2N2O2+ MolecularWeight: 423.475006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24F2N2O2/c1-31-23-4-2-3-20(17-23)25(30)29-15-13-28(14-16-29)24(18-5-9-21(26)10-6-18)19-7-11-22(27)12-8-19/h2-12,17,24H,13-16H2,1H3/p+1