(3R,4R)-1-(isoquinolin-5-ylmethyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(isoquinolin-5-ylmethyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-ol Formula: C20H29N3O2+2 MolecularWeight: 343.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CC[NH+](CC2O)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=CC=CC4=C3C=CN=C4

InChI

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