[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(coumaran-5-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C23H29NO2/c25-18-23(12-9-19-5-2-1-3-6-19)11-4-13-24(17-23)16-20-7-8-22-21(15-20)10-14-26-22/h1-3,5-8,15,25H,4,9-14,16-18H2/p+1/t23-/m0/s1