2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C20H28BrFN3O2+ MolecularWeight: 441.357623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H27BrFN3O2/c21-16-5-6-18(17(22)13-16)23-19(26)14-24-11-7-15(8-12-24)20(27)25-9-3-1-2-4-10-25/h5-6,13,15H,1-4,7-12,14H2,(H,23,26)/p+1