N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-fluoranyl-1H-indole-2-carboxamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-fluoranyl-1H-indole-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-fluoro-1H-indole-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-5-fluoro-1H-indole-2-carboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-fluoro-1H-indole-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-5-fluoro-1H-indole-2-carboxamide Formula: C21H23FN5O2+ MolecularWeight: 396.438023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C21H22FN5O2/c1-14(28)26-7-9-27(10-8-26)20-15(3-2-6-23-20)13-24-21(29)19-12-16-11-17(22)4-5-18(16)25-19/h2-6,11-12,25H,7-10,13H2,1H3,(H,24,29)/p+1