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

Systemtic Name: 4-[4-[(3-chloranyl-2-oxidanyl-phenyl)methyl]pyrrolidin-3-yl]benzene-1,2-diol hydrobromide Openeye Name: 4-[4-[(3-chloro-2-hydroxy-phenyl)methyl]pyrrolidin-3-yl]benzene-1,2-diol hydrobromide CAS Name: 4-[4-[(3-chloro-2-hydroxyphenyl)methyl]-3-pyrrolidinyl]benzene-1,2-diol hydrobromide IUPAC Name: 4-[4-[(3-chloro-2-hydroxyphenyl)methyl]pyrrolidin-3-yl]benzene-1,2-diol hydrobromide Traditional Name: 4-[4-(3-chloro-2-hydroxy-benzyl)pyrrolidin-3-yl]pyrocatechol hydrobromide Formula: C17H19BrClNO3 MolecularWeight: 400.69466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)C2=CC(=C(C=C2)O)O)CC3=C(C(=CC=C3)Cl)O.Br

Isomeric SMILES

C1C(C(CN1)C2=CC(=C(C=C2)O)O)CC3=C(C(=CC=C3)Cl)O.Br

InChI

InChI=1S/C17H18ClNO3.BrH/c18-14-3-1-2-11(17(14)22)6-12-8-19-9-13(12)10-4-5-15(20)16(21)7-10;/h1-5,7,12-13,19-22H,6,8-9H2;1H