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

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-3-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H28N7O+ MolecularWeight: 382.48262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=NC=CC=N4

InChI

InChI=1S/C20H27N7O/c28-19(26-16-14-25(15-17-26)18-4-1-2-6-21-18)5-9-24-10-12-27(13-11-24)20-22-7-3-8-23-20/h1-4,6-8H,5,9-17H2/p+1