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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C24H26ClFN3O3+ MolecularWeight: 458.932943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClFN3O3/c1-2-16-3-6-22-19(11-16)17(12-24(31)32-22)14-28-7-9-29(10-8-28)15-23(30)27-18-4-5-21(26)20(25)13-18/h3-6,11-13H,2,7-10,14-15H2,1H3,(H,27,30)/p+1