5-bromanyl-2-fluoranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 5-bromanyl-2-fluoranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Openeye Name: 5-bromo-2-fluoro-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide CAS Name: 5-bromo-2-fluoro-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]benzamide IUPAC Name: 5-bromo-2-fluoro-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzamide Traditional Name: 5-bromo-2-fluoro-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzamide Formula: C17H19BrFN4O+ MolecularWeight: 394.261363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C17H18BrFN4O/c1-22-6-8-23(9-7-22)16-5-3-13(11-20-16)21-17(24)14-10-12(18)2-4-15(14)19/h2-5,10-11H,6-9H2,1H3,(H,21,24)/p+1