(Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[3-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]acrylate Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-2-24-17-12-14(11-15(13-19)18(21)22)3-4-16(17)25-10-7-20-5-8-23-9-6-20/h3-4,11-12H,2,5-10H2,1H3,(H,21,22)/b15-11-