(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(benzofuran-2-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2-benzofuranylmethyl)-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(benzofuran-2-ylmethyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C18H26N2O3+2 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)O)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCOCC2)O)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H24N2O3/c21-17-13-19(6-5-16(17)20-7-9-22-10-8-20)12-15-11-14-3-1-2-4-18(14)23-15/h1-4,11,16-17,21H,5-10,12-13H2/p+2/t16-,17-/m1/s1