6-fluoranyl-8-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 6-fluoranyl-8-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 6-fluoro-8-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 6-fluoro-8-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 6-fluoro-8-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 6-fluoro-8-[[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]quinoline Formula: C22H24F2N3O+ MolecularWeight: 384.442266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)F

InChI

InChI=1S/C22H23F2N3O/c1-28-21-5-4-16(11-20(21)24)14-26-7-9-27(10-8-26)15-18-13-19(23)12-17-3-2-6-25-22(17)18/h2-6,11-13H,7-10,14-15H2,1H3/p+1