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

Systemtic Name: (E)-3-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-phenyl]-2-phenyl-prop-2-enoate Openeye Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]-2-phenyl-prop-2-enoate CAS Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxyphenyl]-2-phenyl-2-propenoate IUPAC Name: (E)-3-[3-chloro-4-[3-(dimethylazaniumyl)propoxy]-5-methoxyphenyl]-2-phenylprop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]-2-phenyl-acrylate Formula: C21H24ClNO4 MolecularWeight: 389.87256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)C=C(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1Cl)/C=C(\C2=CC=CC=C2)/C(=O)[O-])OC

InChI

InChI=1S/C21H24ClNO4/c1-23(2)10-7-11-27-20-18(22)13-15(14-19(20)26-3)12-17(21(24)25)16-8-5-4-6-9-16/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,24,25)/b17-12+