(E)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C17H23NO4/c1-21-15-7-5-14(6-8-17(19)20)13-16(15)22-12-11-18-9-3-2-4-10-18/h5-8,13H,2-4,9-12H2,1H3,(H,19,20)/b8-6+