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

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(3-phenyl-4-imidazolyl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Formula: C27H25F2N4O+ MolecularWeight: 459.510406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CN=CN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CN=CN4C5=CC=CC=C5

InChI

InChI=1S/C27H24F2N4O/c28-22-10-6-20(7-11-22)26(21-8-12-23(29)13-9-21)31-14-16-32(17-15-31)27(34)25-18-30-19-33(25)24-4-2-1-3-5-24/h1-13,18-19,26H,14-17H2/p+1