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

Systemtic Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-quinolylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-methyl-1-piperazin-4-iumyl)-1-(2-quinolinylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-1-(2-quinolylmethyl)piperidin-1-ium-3-ol Formula: C20H30N4O+2 MolecularWeight: 342.4784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H28N4O/c1-22-10-12-24(13-11-22)19-8-9-23(15-20(19)25)14-17-7-6-16-4-2-3-5-18(16)21-17/h2-7,19-20,25H,8-15H2,1H3/p+2/t19-,20-/m1/s1