(3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(2-quinolylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-(2-quinolinylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(2-quinolylmethyl)piperidin-1-ium-3-ol Formula: C24H32N5O+3 MolecularWeight: 406.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H29N5O/c30-23-18-27(17-20-9-8-19-5-1-2-6-21(19)26-20)12-10-22(23)28-13-15-29(16-14-28)24-7-3-4-11-25-24/h1-9,11,22-23,30H,10,12-18H2/p+3/t22-,23-/m1/s1