2-[2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-acetamido-4-(3-fluorophenyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-acetamido-4-(3-fluorophenyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H26FN4O3+ MolecularWeight: 413.465243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)N)C3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)NC1(CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)N)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN4O3/c1-15(28)26-22(16-5-4-6-17(23)13-16)9-11-27(12-10-22)14-20(29)25-19-8-3-2-7-18(19)21(24)30/h2-8,13H,9-12,14H2,1H3,(H2,24,30)(H,25,29)(H,26,28)/p+1