2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-thiophen-2-ylcarbonylpiperidin-1-yl]ethanone

Systemtic Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-thiophen-2-ylcarbonylpiperidin-1-yl]ethanone Openeye Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(thiophene-2-carbonyl)-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-[oxo(thiophen-2-yl)methyl]-1-piperidinyl]-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]ethanone IUPAC Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxy-1-[(3S)-3-(thiophene-2-carbonyl)piperidin-1-yl]ethanone Traditional Name: 2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxy-1-[(3S)-3-(2-thenoyl)piperidino]ethanone Formula: C25H29N6O3S+ MolecularWeight: 493.60116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C5=CC=CS5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H28N6O3S/c32-24(31-11-3-5-19(17-31)25(33)20-6-4-16-35-20)18-34-23-9-8-22(27-28-23)30-14-12-29(13-15-30)21-7-1-2-10-26-21/h1-2,4,6-10,16,19H,3,5,11-15,17-18H2/p+1/t19-/m0/s1