(3R,4R)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(6-chloro-2H-chromen-3-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidinol IUPAC Name: (3R,4R)-1-[(6-chloro-2H-chromen-3-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-[(6-chloro-2H-chromen-3-yl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-3-ol Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CCN(CC2O)CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C20H27ClN2O3/c21-16-1-2-20-15(10-16)9-14(13-26-20)11-22-6-5-18(19(25)12-22)23-7-3-17(24)4-8-23/h1-2,9-10,17-19,24-25H,3-8,11-13H2/p+1/t18-,19-/m1/s1