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

Systemtic Name: (E)-3-[3-bromanyl-5-chloranyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-bromo-5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-bromo-5-chloro-2-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-5-chloro-2-[3-(dimethylammonio)propoxy]phenyl]acrylate Formula: C14H17BrClNO3 MolecularWeight: 362.64668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1C=CC(=O)[O-])Cl)Br

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1/C=C/C(=O)[O-])Cl)Br

InChI

InChI=1S/C14H17BrClNO3/c1-17(2)6-3-7-20-14-10(4-5-13(18)19)8-11(16)9-12(14)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)/b5-4+