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

Systemtic Name: (E)-3-[3-chloranyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-chloro-5-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]acrylate Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)[O-])Cl)OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)[O-])Cl)OCC[NH+]2CCOCC2

InChI

InChI=1S/C17H22ClNO5/c1-2-23-15-12-13(3-4-16(20)21)11-14(18)17(15)24-10-7-19-5-8-22-9-6-19/h3-4,11-12H,2,5-10H2,1H3,(H,20,21)/b4-3+