2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

Systemtic Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone Openeye Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(2-pyridylmethoxy)-1-piperidyl]ethanone CAS Name: 2-[[6-(4-cyclohexyl-1-piperazin-4-iumyl)-3-pyridazinyl]oxy]-1-[(3S)-3-(2-pyridinylmethoxy)-1-piperidinyl]ethanone IUPAC Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone Traditional Name: 2-[6-(4-cyclohexylpiperazin-4-ium-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(2-pyridylmethoxy)piperidino]ethanone Formula: C27H39N6O3+ MolecularWeight: 495.63696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NN=C(C=C3)OCC(=O)N4CCCC(C4)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NN=C(C=C3)OCC(=O)N4CCC[C@@H](C4)OCC5=CC=CC=N5

InChI

InChI=1S/C27H38N6O3/c34-27(33-14-6-10-24(19-33)35-20-22-7-4-5-13-28-22)21-36-26-12-11-25(29-30-26)32-17-15-31(16-18-32)23-8-2-1-3-9-23/h4-5,7,11-13,23-24H,1-3,6,8-10,14-21H2/p+1/t24-/m0/s1