N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C23H24BrFN3O3+ MolecularWeight: 489.357363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H23BrFN3O3/c1-15-2-4-18-16(11-23(30)31-21(18)10-15)13-27-6-8-28(9-7-27)14-22(29)26-20-5-3-17(24)12-19(20)25/h2-5,10-12H,6-9,13-14H2,1H3,(H,26,29)/p+1