[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(7-methoxy-2-methyl-quinolin-3-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(7-methoxy-2-methyl-quinolin-3-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(7-methoxy-2-methyl-3-quinolyl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(7-methoxy-2-methyl-3-quinolinyl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(7-methoxy-2-methyl-3-quinolyl)methanone Formula: C29H28F2N3O2+ MolecularWeight: 488.548326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27F2N3O2/c1-19-26(17-22-7-12-25(36-2)18-27(22)32-19)29(35)34-15-13-33(14-16-34)28(20-3-8-23(30)9-4-20)21-5-10-24(31)11-6-21/h3-12,17-18,28H,13-16H2,1-2H3/p+1