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

Systemtic Name: (Z)-3-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[3-bromo-4-[3-(dimethylazaniumyl)propoxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]-2-cyano-acrylate Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3/c1-18(2)6-3-7-21-14-5-4-11(9-13(14)16)8-12(10-17)15(19)20/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20)/b12-8-