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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(C[N+]2=CC=C(C=C2)C(=O)[O-])O)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(C[N+]2=CC=C(C=C2)C(=O)[O-])O)Br

InChI

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