1-[1-[(2-bromanyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[1-[(2-bromanyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[1-[(2-bromo-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-[(2-bromo-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[1-(2-bromo-6-fluoro-benzyl)piperidin-1-ium-4-carbonyl]isonipecotamide Formula: C19H26BrFN3O2+ MolecularWeight: 427.331043

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC(CC2)C(=O)N)CC3=C(C=CC=C3Br)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC(CC2)C(=O)N)CC3=C(C=CC=C3Br)F

InChI

InChI=1S/C19H25BrFN3O2/c20-16-2-1-3-17(21)15(16)12-23-8-4-14(5-9-23)19(26)24-10-6-13(7-11-24)18(22)25/h1-3,13-14H,4-12H2,(H2,22,25)/p+1