(E)-3-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-chloro-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]acrylate Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)[O-])Cl)OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)[O-])Cl)OCCC[NH+](C)C

InChI

InChI=1S/C16H22ClNO4/c1-4-21-14-11-12(6-7-15(19)20)10-13(17)16(14)22-9-5-8-18(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20)/b7-6+