methyl 4-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H24FN2O4+ MolecularWeight: 399.435363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O4/c1-29-22(28)17-4-8-19(9-5-17)24-20(26)14-25-12-10-16(11-13-25)21(27)15-2-6-18(23)7-3-15/h2-9,16H,10-14H2,1H3,(H,24,26)/p+1