N-(3-fluorophenyl)-2-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(2-ketochromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H21FN3O4+ MolecularWeight: 410.418243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H20FN3O4/c23-16-5-3-6-17(13-16)24-20(27)14-25-8-10-26(11-9-25)21(28)18-12-15-4-1-2-7-19(15)30-22(18)29/h1-7,12-13H,8-11,14H2,(H,24,27)/p+1