3-[(3R)-1-(1H-indazol-3-ylcarbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(1H-indazol-3-ylcarbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1H-indazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[1H-indazol-3-yl(oxo)methyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1H-indazole-3-carbonyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C25H31N6O2+ MolecularWeight: 447.55264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC3=CC=CC=C32)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NNC3=CC=CC=C32)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H30N6O2/c32-23(30-16-14-29(15-17-30)22-9-3-4-12-26-22)11-10-19-6-5-13-31(18-19)25(33)24-20-7-1-2-8-21(20)27-28-24/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,27,28)/p+1/t19-/m1/s1