5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazole-4-carboxylate Formula: C12H20N4O2 MolecularWeight: 252.3128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NN2C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NN2C)C)C(=O)[O-]

InChI

InChI=1S/C12H20N4O2/c1-4-15-5-7-16(8-6-15)11-10(12(17)18)9(2)13-14(11)3/h4-8H2,1-3H3,(H,17,18)