4-[4-(3-chloranyl-2-oxidanyl-phenyl)pyrrolidin-3-yl]benzene-1,2-diol hydrobromide

Systemtic Name: 4-[4-(3-chloranyl-2-oxidanyl-phenyl)pyrrolidin-3-yl]benzene-1,2-diol hydrobromide Openeye Name: 4-[4-(3-chloro-2-hydroxy-phenyl)pyrrolidin-3-yl]benzene-1,2-diol hydrobromide CAS Name: 4-[4-(3-chloro-2-hydroxyphenyl)-3-pyrrolidinyl]benzene-1,2-diol hydrobromide IUPAC Name: 4-[4-(3-chloro-2-hydroxyphenyl)pyrrolidin-3-yl]benzene-1,2-diol hydrobromide Traditional Name: 4-[4-(3-chloro-2-hydroxy-phenyl)pyrrolidin-3-yl]pyrocatechol hydrobromide Formula: C16H17BrClNO3 MolecularWeight: 386.66808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)C2=C(C(=CC=C2)Cl)O)C3=CC(=C(C=C3)O)O.Br

Isomeric SMILES

C1C(C(CN1)C2=C(C(=CC=C2)Cl)O)C3=CC(=C(C=C3)O)O.Br

InChI

InChI=1S/C16H16ClNO3.BrH/c17-13-3-1-2-10(16(13)21)12-8-18-7-11(12)9-4-5-14(19)15(20)6-9;/h1-6,11-12,18-21H,7-8H2;1H