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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C=C(C=C3)F)Br

InChI

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