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

Systemtic Name: ethyl 4-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26FN2O4+ MolecularWeight: 413.461943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O4/c1-2-30-23(29)18-5-9-20(10-6-18)25-21(27)15-26-13-11-17(12-14-26)22(28)16-3-7-19(24)8-4-16/h3-10,17H,2,11-15H2,1H3,(H,25,27)/p+1