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

Systemtic Name: 3-[[4-azanyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C14H28N8O2+2 MolecularWeight: 340.42452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N8O2/c1-19(2)6-4-5-16-14-17-12(15)11(22(23)24)13(18-14)21-9-7-20(3)8-10-21/h4-10H2,1-3H3,(H3,15,16,17,18)/p+2