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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-bromo-4-fluoro-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-bromo-4-fluorophenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-bromo-4-fluorophenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C17H18BrFN3O+ MolecularWeight: 379.246723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C17H17BrFN3O/c18-16-11-14(19)1-2-15(16)17(23)22-9-7-21(8-10-22)12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2/p+1