[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-quinolin-8-yl-methanone Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(8-quinolyl)methanone CAS Name: [4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(8-quinolinyl)methanone IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-quinolin-8-ylmethanone Traditional Name: [4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-(8-quinolyl)methanone Formula: C21H20ClFN3O+ MolecularWeight: 384.854403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19ClFN3O/c22-18-7-2-8-19(23)17(18)14-25-10-12-26(13-11-25)21(27)16-6-1-4-15-5-3-9-24-20(15)16/h1-9H,10-14H2/p+1