2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C14H20N7O2+ MolecularWeight: 318.3543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=NC=CC=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=NC=CC=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N7O2/c1-11-13(21(22)23)12(2)20(17-11)10-18-6-8-19(9-7-18)14-15-4-3-5-16-14/h3-5H,6-10H2,1-2H3/p+1