N-[2-fluoranyl-5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-fluoranyl-5-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-fluoro-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-fluoro-5-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-fluoro-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-fluoro-5-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]-4-methyl-3-nitro-benzamide Formula: C22H26FN4O4+ MolecularWeight: 429.464643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN4O4/c1-14-6-7-16(11-20(14)27(30)31)22(29)25-19-12-17(8-9-18(19)23)24-21(28)13-26-10-4-3-5-15(26)2/h6-9,11-12,15H,3-5,10,13H2,1-2H3,(H,24,28)(H,25,29)/p+1/t15-/m0/s1