1-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazole-4-carboxylate Openeye Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazole-4-carboxylate CAS Name: 1-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazole-4-carboxylate Formula: C11H16N4O3 MolecularWeight: 252.26974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C=C2C(=O)[O-])C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C=C2C(=O)[O-])C

InChI

InChI=1S/C11H16N4O3/c1-13-3-5-15(6-4-13)10(16)9-8(11(17)18)7-14(2)12-9/h7H,3-6H2,1-2H3,(H,17,18)