(E)-3-[5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-(4-ethyl-1-piperazin-4-iumyl)-1,3-dimethyl-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-pyrazol-4-yl]acrylate Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NN2C)C)C=CC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NN2C)C)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H22N4O2/c1-4-17-7-9-18(10-8-17)14-12(5-6-13(19)20)11(2)15-16(14)3/h5-6H,4,7-10H2,1-3H3,(H,19,20)/b6-5+