N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C19H27BrFN4O2+ MolecularWeight: 442.345683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H26BrFN4O2/c20-15-3-4-17(16(21)13-15)22-18(26)5-8-23-9-11-24(12-10-23)14-19(27)25-6-1-2-7-25/h3-4,13H,1-2,5-12,14H2,(H,22,26)/p+1