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

Systemtic Name: (3R,4R)-1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-chloro-2-hydroxy-phenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(5-chloro-2-hydroxy-benzyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C17H27ClN2O3+2 MolecularWeight: 342.86088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CC[NH+](CC2O)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C17H25ClN2O3/c18-13-1-2-16(22)12(9-13)10-19-6-5-15(17(23)11-19)20-7-3-14(21)4-8-20/h1-2,9,14-15,17,21-23H,3-8,10-11H2/p+2/t15-,17-/m1/s1