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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H24FN4O2+ MolecularWeight: 407.460663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C23H23FN4O2/c24-19-6-4-7-20(16-19)25-22(29)17-26-11-13-28(14-12-26)23(30)18-5-3-8-21(15-18)27-9-1-2-10-27/h1-10,15-16H,11-14,17H2,(H,25,29)/p+1