[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-quinolyl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-4-quinolinyl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methylquinolin-4-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-quinolyl)methanone Formula: C28H26F2N3O+ MolecularWeight: 458.522346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H25F2N3O/c1-19-18-25(24-4-2-3-5-26(24)31-19)28(34)33-16-14-32(15-17-33)27(20-6-10-22(29)11-7-20)21-8-12-23(30)13-9-21/h2-13,18,27H,14-17H2,1H3/p+1