2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]ethanoate

Systemtic Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]ethanoate Openeye Name: 2-[4-[2-(dimethylammonio)ethoxy]phenyl]acetate CAS Name: 2-[4-[2-(dimethylammonio)ethoxy]phenyl]acetate IUPAC Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]acetate Traditional Name: 2-[4-[2-(dimethylammonio)ethoxy]phenyl]acetate Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-13(2)7-8-16-11-5-3-10(4-6-11)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15)