N-(4-fluorophenyl)-2-(4-quinoxalin-6-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-(4-quinoxalin-6-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[oxo(6-quinoxalinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H21FN5O2+ MolecularWeight: 394.422143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H20FN5O2/c22-16-2-4-17(5-3-16)25-20(28)14-26-9-11-27(12-10-26)21(29)15-1-6-18-19(13-15)24-8-7-23-18/h1-8,13H,9-12,14H2,(H,25,28)/p+1