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

Systemtic Name: 3-[[4-azanyl-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C16H30N7O2+ MolecularWeight: 352.4551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC(=N2)NCCC[NH+](C)C)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C(=NC(=N2)NCCC[NH+](C)C)N)[N+](=O)[O-])C

InChI

InChI=1S/C16H29N7O2/c1-11-8-12(2)10-22(9-11)15-13(23(24)25)14(17)19-16(20-15)18-6-5-7-21(3)4/h11-12H,5-10H2,1-4H3,(H3,17,18,19,20)/p+1/t11-,12-/m1/s1