(3R,4R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(benzofurazan-4-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C17H27N5O2+2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC=CC4=NON=C43

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C17H25N5O2/c1-20-7-9-22(10-8-20)15-5-6-21(12-16(15)23)11-13-3-2-4-14-17(13)19-24-18-14/h2-4,15-16,23H,5-12H2,1H3/p+2/t15-,16-/m1/s1