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

Systemtic Name: 3-[[4-azanyl-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(1-azepanyl)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(azepan-1-yl)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C15H28N7O2+ MolecularWeight: 338.42852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C15H27N7O2/c1-20(2)9-7-8-17-15-18-13(16)12(22(23)24)14(19-15)21-10-5-3-4-6-11-21/h3-11H2,1-2H3,(H3,16,17,18,19)/p+1