4-chloranyl-N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-fluoranyl-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-chloro-3-fluoro-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-4-chloro-3-fluorobenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-chloro-3-fluorobenzamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-4-chloro-3-fluoro-benzamide Formula: C19H21ClFN4O2+ MolecularWeight: 391.847043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C19H20ClFN4O2/c1-13(26)24-7-9-25(10-8-24)18-15(3-2-6-22-18)12-23-19(27)14-4-5-16(20)17(21)11-14/h2-6,11H,7-10,12H2,1H3,(H,23,27)/p+1