2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C20H22FN4O4+ MolecularWeight: 401.411483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4O4/c1-22(15-6-8-16(9-7-15)25(28)29)19(26)14-23-10-12-24(13-11-23)20(27)17-4-2-3-5-18(17)21/h2-9H,10-14H2,1H3/p+1