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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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