3-[2-(dimethylazaniumyl)ethoxy]-4-methoxy-benzoate

Systemtic Name: 3-[2-(dimethylazaniumyl)ethoxy]-4-methoxy-benzoate Openeye Name: 3-[2-(dimethylammonio)ethoxy]-4-methoxy-benzoate CAS Name: 3-[2-(dimethylammonio)ethoxy]-4-methoxybenzoate IUPAC Name: 3-[2-(dimethylazaniumyl)ethoxy]-4-methoxybenzoate Traditional Name: 3-[2-(dimethylammonio)ethoxy]-4-methoxy-benzoate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-13(2)6-7-17-11-8-9(12(14)15)4-5-10(11)16-3/h4-5,8H,6-7H2,1-3H3,(H,14,15)