(E)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-2-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]acrylate Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1C=CC(=O)[O-])Br)OC

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1/C=C/C(=O)[O-])Br)OC

InChI

InChI=1S/C14H18BrNO4/c1-16(2)6-7-20-14-10(4-5-13(17)18)8-11(15)9-12(14)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)/b5-4+