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

Systemtic Name: (E)-3-[5-bromanyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-2-[2-(dimethylazaniumyl)ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-2-[2-(dimethylammonio)ethoxy]phenyl]acrylate Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-15(2)7-8-18-12-5-4-11(14)9-10(12)3-6-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)/b6-3+