3-methyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-methyl-5-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-methyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxylate Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])N2CC[NH+](CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2/c1-12-14(16(21)22)15(19-10-8-18(2)9-11-19)20(17-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,21,22)