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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+](C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NCCC[NH+](C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C15H27N7O2/c1-11-5-9-21(10-6-11)14-12(22(23)24)13(16)18-15(19-14)17-7-4-8-20(2)3/h11H,4-10H2,1-3H3,(H3,16,17,18,19)/p+1