3-(2-chlorophenyl)-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(2-chlorophenyl)-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(2-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]propan-1-one CAS Name: 3-(2-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(2-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(2-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]propan-1-one Formula: C19H28ClN2O3+ MolecularWeight: 367.89022

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CCN(CC2O)C(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)C(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H27ClN2O3/c20-16-4-2-1-3-14(16)5-6-19(25)22-12-9-17(18(24)13-22)21-10-7-15(23)8-11-21/h1-4,15,17-18,23-24H,5-13H2/p+1/t17-,18-/m1/s1