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

Systemtic Name: 2-[4-(4-acetamidophenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(4-acetamidophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(4-acetamidobenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H24FN4O3+ MolecularWeight: 399.438663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O3/c1-15(27)23-18-7-5-16(6-8-18)21(29)26-11-9-25(10-12-26)14-20(28)24-19-4-2-3-17(22)13-19/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)/p+1