2-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-ium 1-oxide

Systemtic Name: 2-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-ium 1-oxide Openeye Name: 2-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-ium 1-oxide CAS Name: 2-[1-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidin-1-ium 1-oxide IUPAC Name: 2-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-ium 1-oxide Traditional Name: 2-[1-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidin-1-ium 1-oxide Formula: C12H19N5O+2 MolecularWeight: 249.31216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](=O)C1)[N+]2(CCNCC2)C3=NC=CC=N3

Isomeric SMILES

C1CC([N+](=O)C1)[N+]2(CCNCC2)C3=NC=CC=N3

InChI

InChI=1S/C12H19N5O/c18-16-8-1-3-11(16)17(9-6-13-7-10-17)12-14-4-2-5-15-12/h2,4-5,11,13H,1,3,6-10H2/q+2