(5-bromanyl-2-fluoranyl-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-fluoro-phenyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-fluorophenyl)-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2-fluorophenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-fluoro-phenyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H20BrFN3O+ MolecularWeight: 429.305403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C21H19BrFN3O/c22-17-6-7-19(23)18(13-17)21(27)26-11-9-25(10-12-26)14-16-4-1-3-15-5-2-8-24-20(15)16/h1-8,13H,9-12,14H2/p+1