2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(5-nitropyridin-1-ium-2-yl)piperazino]pyrimidine Formula: C13H15N6O2+ MolecularWeight: 287.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C13H14N6O2/c20-19(21)11-2-3-12(16-10-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1-5,10H,6-9H2/p+1