3-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-3-yl]phenol hydrate hydrobromide

Systemtic Name: 3-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-3-yl]phenol hydrate hydrobromide Openeye Name: 3-[1-(2,3-dihydrobenzofuran-2-ylmethyl)-3-piperidyl]phenol hydrate hydrobromide CAS Name: 3-[1-(2,3-dihydrobenzofuran-2-ylmethyl)-3-piperidinyl]phenol hydrate hydrobromide IUPAC Name: 3-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-3-yl]phenol hydrate hydrobromide Traditional Name: 3-[1-(coumaran-2-ylmethyl)-3-piperidyl]phenol hydrate hydrobromide Formula: C20H26BrNO3 MolecularWeight: 408.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2CC3=CC=CC=C3O2)C4=CC(=CC=C4)O.O.Br

Isomeric SMILES

C1CC(CN(C1)CC2CC3=CC=CC=C3O2)C4=CC(=CC=C4)O.O.Br

InChI

InChI=1S/C20H23NO2.BrH.H2O/c22-18-8-3-6-15(11-18)17-7-4-10-21(13-17)14-19-12-16-5-1-2-9-20(16)23-19;;/h1-3,5-6,8-9,11,17,19,22H,4,7,10,12-14H2;1H;1H2