3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridin-2-amine

Systemtic Name: 3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridin-2-amine Openeye Name: 3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridin-2-amine CAS Name: 3-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-2-pyridinamine IUPAC Name: 3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridin-2-amine Traditional Name: (3-nitro-2-pyridyl)-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C16H22N7O2+ MolecularWeight: 344.39158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(C=CC=N2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(C=CC=N2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C16H21N7O2/c24-23(25)14-4-1-5-17-15(14)18-8-3-9-21-10-12-22(13-11-21)16-19-6-2-7-20-16/h1-2,4-7H,3,8-13H2,(H,17,18)/p+1