2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(6-ethoxy-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-[(6-ethoxy-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C25H29FN3O4+ MolecularWeight: 454.513863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=CC(=C(C=C4)C)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=CC(=C(C=C4)C)F

InChI

InChI=1S/C25H28FN3O4/c1-3-32-20-6-7-23-21(14-20)18(12-25(31)33-23)15-28-8-10-29(11-9-28)16-24(30)27-19-5-4-17(2)22(26)13-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)/p+1