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

Systemtic Name: (E)-3-[1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1,3-dimethyl-5-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1,3-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)pyrazol-4-yl]acrylate Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)[O-])N2CC[NH+](CC2)C)C

InChI

InChI=1S/C13H20N4O2/c1-10-11(4-5-12(18)19)13(16(3)14-10)17-8-6-15(2)7-9-17/h4-5H,6-9H2,1-3H3,(H,18,19)/b5-4+