3-[[4-azanyl-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-azanyl-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C15H30N8O2+2 MolecularWeight: 354.4511

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+](C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+](C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C15H28N8O2/c1-4-21-8-10-22(11-9-21)14-12(23(24)25)13(16)18-15(19-14)17-6-5-7-20(2)3/h4-11H2,1-3H3,(H3,16,17,18,19)/p+2