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

Systemtic Name: (E)-3-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]-5-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]-5-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-bromo-4-[3-(dimethylazaniumyl)propoxy]-5-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]-5-methoxy-phenyl]acrylate Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1Br)C=CC(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1Br)/C=C/C(=O)[O-])OC

InChI

InChI=1S/C15H20BrNO4/c1-17(2)7-4-8-21-15-12(16)9-11(5-6-14(18)19)10-13(15)20-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,19)/b6-5+