1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-(2-pyrimidinylamino)-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-(2-pyrimidylamino)propan-1-one Formula: C16H21N6O+ MolecularWeight: 313.37754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNC3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNC3=NC=CC=N3

InChI

InChI=1S/C16H20N6O/c23-15(5-9-20-16-18-7-3-8-19-16)22-12-10-21(11-13-22)14-4-1-2-6-17-14/h1-4,6-8H,5,9-13H2,(H,18,19,20)/p+1