4-[2-(dimethylazaniumyl)ethoxy]-3,5-dimethyl-benzoate

Systemtic Name: 4-[2-(dimethylazaniumyl)ethoxy]-3,5-dimethyl-benzoate Openeye Name: 4-[2-(dimethylammonio)ethoxy]-3,5-dimethyl-benzoate CAS Name: 4-[2-(dimethylammonio)ethoxy]-3,5-dimethylbenzoate IUPAC Name: 4-[2-(dimethylazaniumyl)ethoxy]-3,5-dimethylbenzoate Traditional Name: 4-[2-(dimethylammonio)ethoxy]-3,5-dimethyl-benzoate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH+](C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH+](C)C)C)C(=O)[O-]

InChI

InChI=1S/C13H19NO3/c1-9-7-11(13(15)16)8-10(2)12(9)17-6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,15,16)