methyl 1-[(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H21BrFN2O3+ MolecularWeight: 388.251943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H20BrFN2O3/c1-10(20-7-5-11(6-8-20)16(22)23-2)15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9-11H,5-8H2,1-2H3,(H,19,21)/p+1/t10-/m1/s1