[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(6-imidazol-1-ylpyridin-3-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(6-imidazol-1-ylpyridin-3-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(6-imidazol-1-yl-3-pyridyl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-[6-(1-imidazolyl)-3-pyridinyl]methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(6-imidazol-1-ylpyridin-3-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(6-imidazol-1-yl-3-pyridyl)methanone Formula: C26H24F2N5O+ MolecularWeight: 460.498466

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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=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CN=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C26H23F2N5O/c27-22-6-1-19(2-7-22)25(20-3-8-23(28)9-4-20)31-13-15-32(16-14-31)26(34)21-5-10-24(30-17-21)33-12-11-29-18-33/h1-12,17-18,25H,13-16H2/p+1