(Z)-3-[5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[5-bromo-2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-2-cyano-acrylate Formula: C16H19BrN2O4 MolecularWeight: 383.23706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1C=C(C#N)C(=O)[O-])Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O4/c1-19(2)5-4-6-23-15-11(7-12(10-18)16(20)21)8-13(17)9-14(15)22-3/h7-9H,4-6H2,1-3H3,(H,20,21)/b12-7-