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

Systemtic Name: 4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-benzoate Openeye Name: 4-[2-(dimethylammonio)ethoxy]-3-ethoxy-benzoate CAS Name: 4-[2-(dimethylammonio)ethoxy]-3-ethoxybenzoate IUPAC Name: 4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxybenzoate Traditional Name: 4-[2-(dimethylammonio)ethoxy]-3-ethoxy-benzoate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-4-17-12-9-10(13(15)16)5-6-11(12)18-8-7-14(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)