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

Systemtic Name: 2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-(4-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(4-fluoro-2-methyl-phenyl)acetamide Formula: C25H29FN3O3+ MolecularWeight: 438.514463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)F)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4)F)C

InChI

InChI=1S/C25H28FN3O3/c1-3-18-4-7-23-21(13-18)19(14-25(31)32-23)15-28-8-10-29(11-9-28)16-24(30)27-22-6-5-20(26)12-17(22)2/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)/p+1