(4-bromanyl-2-fluoranyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-bromo-2-fluorophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-2-fluorophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H16BrFN3O+ MolecularWeight: 365.220143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H15BrFN3O/c17-12-4-5-13(14(18)11-12)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2/p+1