4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole Formula: C27H26F2N3S+ MolecularWeight: 462.577246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H25F2N3S/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)32-16-14-31(15-17-32)18-25-19-33-27(30-25)22-4-2-1-3-5-22/h1-13,19,26H,14-18H2/p+1