(3R,4R)-1-[(5-ethylfuran-2-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-ethylfuran-2-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-ethyl-2-furyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-ethyl-2-furanyl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-ethylfuran-2-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-ethyl-2-furyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C17H30N2O3+2 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H28N2O3/c1-2-14-3-4-15(22-14)11-18-8-7-16(17(21)12-18)19-9-5-13(20)6-10-19/h3-4,13,16-17,20-21H,2,5-12H2,1H3/p+2/t16-,17-/m1/s1