5-bromanyl-N-[2-oxidanylidene-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethyl]-2-furamide Formula: C16H23BrN3O4+ MolecularWeight: 401.27552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H22BrN3O4/c17-14-4-3-13(24-14)16(22)18-10-15(21)20-7-5-19(6-8-20)11-12-2-1-9-23-12/h3-4,12H,1-2,5-11H2,(H,18,22)/p+1/t12-/m1/s1