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

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-1-methyl-pyrazole-4-carboxylate Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-methyl-pyrazole-4-carboxylate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3/c1-3-15-4-6-16(7-5-15)11(17)10-9(12(18)19)8-14(2)13-10/h8H,3-7H2,1-2H3,(H,18,19)