(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C19H24BrFN3O2+ MolecularWeight: 425.315163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrFN3O2/c20-16-4-5-17(21)15(13-16)3-6-18(25)24-11-9-22(10-12-24)14-19(26)23-7-1-2-8-23/h3-6,13H,1-2,7-12,14H2/p+1/b6-3+