(E)-3-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-bromo-4-[3-(dimethylazaniumyl)propoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]acrylate Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO3/c1-16(2)8-3-9-19-13-6-4-11(10-12(13)15)5-7-14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,17,18)/b7-5+