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

Systemtic Name: (Z)-2-cyano-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]prop-2-enoate Openeye Name: (Z)-2-cyano-3-[2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-2-propenoate IUPAC Name: (Z)-2-cyano-3-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-[3-(dimethylammonio)propoxy]-3-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=C1OC)C=C(C#N)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC=C1OC)/C=C(/C#N)\C(=O)[O-]

InChI

InChI=1S/C16H20N2O4/c1-18(2)8-5-9-22-15-12(6-4-7-14(15)21-3)10-13(11-17)16(19)20/h4,6-7,10H,5,8-9H2,1-3H3,(H,19,20)/b13-10-