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

Systemtic Name: (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2-benzofuranylmethyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(benzofuran-2-ylmethyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C23H31N4O2+3 MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H28N4O2/c28-21-17-25(16-19-15-18-5-1-2-6-22(18)29-19)10-8-20(21)26-11-13-27(14-12-26)23-7-3-4-9-24-23/h1-7,9,15,20-21,28H,8,10-14,16-17H2/p+3/t20-,21-/m1/s1