N-(3-fluorophenyl)-2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo(2-quinolinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-(4-quinaldoylpiperazin-1-ium-1-yl)acetamide Formula: C22H22FN4O2+ MolecularWeight: 393.434083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21FN4O2/c23-17-5-3-6-18(14-17)24-21(28)15-26-10-12-27(13-11-26)22(29)20-9-8-16-4-1-2-7-19(16)25-20/h1-9,14H,10-13,15H2,(H,24,28)/p+1