diethyl-(2-hydroxyethyl)-methyl-azanium; 3,4-dimethylthiophene-2,5-dicarboxylate

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 3,4-dimethylthiophene-2,5-dicarboxylate Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3,4-dimethylthiophene-2,5-dicarboxylate CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 3,4-dimethylthiophene-2,5-dicarboxylate IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 3,4-dimethylthiophene-2,5-dicarboxylate Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3,4-dimethylthiophene-2,5-dicarboxylate Formula: C22H42N2O6S MolecularWeight: 462.64368

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.CC[N+](C)(CC)CCO.CC1=C(SC(=C1C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCO.CC[N+](C)(CC)CCO.CC1=C(SC(=C1C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H8O4S.2C7H18NO/c1-3-4(2)6(8(11)12)13-5(3)7(9)10;2*1-4-8(3,5-2)6-7-9/h1-2H3,(H,9,10)(H,11,12);2*9H,4-7H2,1-3H3/q;2*+1/p-2