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

Systemtic Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]prop-2-enoate Openeye Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)-2-furyl]prop-2-enoate CAS Name: (E)-3-[5-(4-methyl-1-piperazin-4-iumyl)-2-furanyl]-2-propenoate IUPAC Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]prop-2-enoate Traditional Name: (E)-3-[5-(4-methylpiperazin-4-ium-1-yl)-2-furyl]acrylate Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(O2)C=CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(O2)/C=C/C(=O)[O-]

InChI

InChI=1S/C12H16N2O3/c1-13-6-8-14(9-7-13)11-4-2-10(17-11)3-5-12(15)16/h2-5H,6-9H2,1H3,(H,15,16)/b5-3+