2-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: 2-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: 2-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: 2-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: 2-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: 2-[5-bromo-2-(3-fluorobenzyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C17H15BrFNO3S MolecularWeight: 412.273303

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C(=O)[O-]

Isomeric SMILES

C1C([NH2+]C(S1)C2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C(=O)[O-]

InChI

InChI=1S/C17H15BrFNO3S/c18-11-4-5-15(23-8-10-2-1-3-12(19)6-10)13(7-11)16-20-14(9-24-16)17(21)22/h1-7,14,16,20H,8-9H2,(H,21,22)