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

Systemtic Name: (E)-3-[2-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-chloro-6-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-chloro-6-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[2-chloro-6-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-chloro-6-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylate Formula: C14H17ClN2O2 MolecularWeight: 280.74998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O2/c1-16-7-9-17(10-8-16)13-4-2-3-12(15)11(13)5-6-14(18)19/h2-6H,7-10H2,1H3,(H,18,19)/b6-5+