1-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxylate Openeye Name: 1-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-3-pyridin-1-iumcarboxylate IUPAC Name: 1-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]pyridin-1-ium-3-carboxylate Formula: C15H14BrNO4 MolecularWeight: 352.17996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(COC2=CC=C(C=C2)Br)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)C[C@H](COC2=CC=C(C=C2)Br)O)C(=O)[O-]

InChI

InChI=1S/C15H14BrNO4/c16-12-3-5-14(6-4-12)21-10-13(18)9-17-7-1-2-11(8-17)15(19)20/h1-8,13,18H,9-10H2/t13-/m1/s1