3-[2-(dimethylazaniumyl)ethoxy]thiophene-2-carboxylate

Systemtic Name: 3-[2-(dimethylazaniumyl)ethoxy]thiophene-2-carboxylate Openeye Name: 3-[2-(dimethylammonio)ethoxy]thiophene-2-carboxylate CAS Name: 3-[2-(dimethylammonio)ethoxy]-2-thiophenecarboxylate IUPAC Name: 3-[2-(dimethylazaniumyl)ethoxy]thiophene-2-carboxylate Traditional Name: 3-[2-(dimethylammonio)ethoxy]-2-thenoate Formula: C9H13NO3S MolecularWeight: 215.26942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3S/c1-10(2)4-5-13-7-3-6-14-8(7)9(11)12/h3,6H,4-5H2,1-2H3,(H,11,12)