N4-methyl-N4-(1-methylpiperidin-1-ium-4-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-1-ium-4-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-methyl-N4-(1-methylpiperidin-1-ium-4-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidin-1-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-1-ium-4-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C11H19N6O2+ MolecularWeight: 267.30756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC(=NC=C2[N+](=O)[O-])N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC(=NC=C2[N+](=O)[O-])N

InChI

InChI=1S/C11H18N6O2/c1-15-5-3-8(4-6-15)16(2)10-9(17(18)19)7-13-11(12)14-10/h7-8H,3-6H2,1-2H3,(H2,12,13,14)/p+1