(E)-3-[2-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-chloro-6-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-chloro-6-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[2-chloro-6-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-chloro-6-(4-ethylpiperazin-4-ium-1-yl)phenyl]acrylate Formula: C15H19ClN2O2 MolecularWeight: 294.77656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O2/c1-2-17-8-10-18(11-9-17)14-5-3-4-13(16)12(14)6-7-15(19)20/h3-7H,2,8-11H2,1H3,(H,19,20)/b7-6+