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

Systemtic Name: (E)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylate Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-15-8-10-16(11-9-15)13-5-3-2-4-12(13)6-7-14(17)18/h2-7H,8-11H2,1H3,(H,17,18)/b7-6+