(3R,4R)-4-(4-oxidanylpiperidin-1-ium-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol

Systemtic Name: (3R,4R)-4-(4-oxidanylpiperidin-1-ium-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-quinolylmethyl)piperidin-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-(4-quinolinylmethyl)-3-piperidinol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-quinolylmethyl)piperidin-3-ol Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CCN(CC2O)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C20H27N3O2/c24-16-6-11-23(12-7-16)19-8-10-22(14-20(19)25)13-15-5-9-21-18-4-2-1-3-17(15)18/h1-5,9,16,19-20,24-25H,6-8,10-14H2/p+1/t19-,20-/m1/s1