2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H26N6O2/c29-20(27-12-14-28(15-13-27)22-23-8-3-9-24-22)16-26-10-6-17(7-11-26)21-25-18-4-1-2-5-19(18)30-21/h1-5,8-9,17H,6-7,10-16H2/p+1