2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazino]pyrimidine Formula: C13H15N6O2+ MolecularWeight: 287.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=NC=CC=N3

InChI

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