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

Systemtic Name: N-(3-fluorophenyl)-2-[4-(4-morpholin-4-ylpyridin-1-ium-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(4-morpholinopyridin-1-ium-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[4-(4-morpholinyl)-2-pyridin-1-iumyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(4-morpholin-4-ylpyridin-1-ium-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(4-morpholinopyridin-1-ium-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28FN5O3+2 MolecularWeight: 429.487823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C22H26FN5O3/c23-17-2-1-3-18(14-17)25-21(29)16-26-6-8-28(9-7-26)22(30)20-15-19(4-5-24-20)27-10-12-31-13-11-27/h1-5,14-15H,6-13,16H2,(H,25,29)/p+2