(E)-3-[3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-chloranyl-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-chloro-5-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-chloro-5-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)[O-])Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)[O-])Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C18H24ClNO4/c1-2-23-16-13-14(6-7-17(21)22)12-15(19)18(16)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,22)/b7-6+