[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-(coumaran-5-ylmethyl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H29N3O2/c1-24(11-7-19-4-2-3-10-23-19)20-8-12-25(16-21(20)26)15-17-5-6-22-18(14-17)9-13-27-22/h2-6,10,14,20-21,26H,7-9,11-13,15-16H2,1H3/p+2/t20-,21-/m1/s1