methyl 4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O2/c1-25-20(24)16-9-7-15(8-10-16)13-23-11-3-6-19(14-23)22-18-5-2-4-17(21)12-18/h2,4-5,7-10,12,19,22H,3,6,11,13-14H2,1H3/p+1/t19-/m0/s1