3-[(dimethylazaniumyl)methyl]-4-ethoxy-benzoate

Systemtic Name: 3-[(dimethylazaniumyl)methyl]-4-ethoxy-benzoate Openeye Name: 3-[(dimethylammonio)methyl]-4-ethoxy-benzoate CAS Name: 3-[(dimethylammonio)methyl]-4-ethoxybenzoate IUPAC Name: 3-[(dimethylazaniumyl)methyl]-4-ethoxybenzoate Traditional Name: 3-[(dimethylammonio)methyl]-4-ethoxy-benzoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)[O-])C[NH+](C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)[O-])C[NH+](C)C

InChI

InChI=1S/C12H17NO3/c1-4-16-11-6-5-9(12(14)15)7-10(11)8-13(2)3/h5-7H,4,8H2,1-3H3,(H,14,15)