(E)-3-[3-[(dimethylazaniumyl)methyl]-4-methoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[(dimethylazaniumyl)methyl]-4-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[(dimethylammonio)methyl]-4-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(dimethylammonio)methyl]-4-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[(dimethylazaniumyl)methyl]-4-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(dimethylammonio)methyl]-4-methoxy-phenyl]acrylate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C=CC(=O)[O-])OC

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)/C=C/C(=O)[O-])OC

InChI

InChI=1S/C13H17NO3/c1-14(2)9-11-8-10(5-7-13(15)16)4-6-12(11)17-3/h4-8H,9H2,1-3H3,(H,15,16)/b7-5+