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

Systemtic Name: (Z)-2-cyano-3-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[2-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]acrylate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-18(2)7-4-8-22-15-10-14(21-3)6-5-12(15)9-13(11-17)16(19)20/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,20)/b13-9-