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

Systemtic Name: 1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxylate Openeye Name: 1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxylate CAS Name: 1,3-dimethyl-5-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolecarboxylate IUPAC Name: 1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxylate Traditional Name: 1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxylate Formula: C11H18N4O2 MolecularWeight: 238.28622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O2/c1-8-9(11(16)17)10(14(3)12-8)15-6-4-13(2)5-7-15/h4-7H2,1-3H3,(H,16,17)