4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-pyrazole-3-carboxylate

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-pyrazole-3-carboxylate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-pyrazole-3-carboxylate CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methyl-3-pyrazolecarboxylate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methylpyrazole-3-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-pyrazole-3-carboxylate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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