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

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-fluoranyl-4-methoxy-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-fluoro-4-methoxy-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-fluoro-4-methoxybenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-fluoro-4-methoxybenzamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-3-fluoro-4-methoxy-benzamide Formula: C20H24FN4O3+ MolecularWeight: 387.427963

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O3/c1-14(26)24-8-10-25(11-9-24)19-16(4-3-7-22-19)13-23-20(27)15-5-6-18(28-2)17(21)12-15/h3-7,12H,8-11,13H2,1-2H3,(H,23,27)/p+1