3-[1-[(2-fluorophenyl)amino]-4-propanoyl-piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[1-[(2-fluorophenyl)amino]-4-propanoyl-piperidin-1-ium-1-yl]propanoic acid Openeye Name: 3-[1-(2-fluoroanilino)-4-propanoyl-piperidin-1-ium-1-yl]propanoic acid CAS Name: 3-[1-(2-fluoroanilino)-4-(1-oxopropyl)-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 3-[1-(2-fluoroanilino)-4-propanoylpiperidin-1-ium-1-yl]propanoic acid Traditional Name: 3-[1-(2-fluoroanilino)-4-propionyl-piperidin-1-ium-1-yl]propionic acid Formula: C17H24FN2O3+ MolecularWeight: 323.382463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CC[N+](CC1)(CCC(=O)O)NC2=CC=CC=C2F

Isomeric SMILES

CCC(=O)C1CC[N+](CC1)(CCC(=O)O)NC2=CC=CC=C2F

InChI

InChI=1S/C17H23FN2O3/c1-2-16(21)13-7-10-20(11-8-13,12-9-17(22)23)19-15-6-4-3-5-14(15)18/h3-6,13,19H,2,7-12H2,1H3/p+1