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

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 3,4-diphenylthiophene-2,5-dicarboxylate; hydroiodide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3,4-diphenylthiophene-2,5-dicarboxylate; hydroiodide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 3,4-diphenylthiophene-2,5-dicarboxylate; hydroiodide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 3,4-diphenylthiophene-2,5-dicarboxylate; hydroiodide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3,4-diphenylthiophene-2,5-dicarboxylate; hydroiodide Formula: C25H29INO5S- MolecularWeight: 582.47093

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C(=O)[O-])C(=O)[O-].I

Isomeric SMILES

CC[N+](C)(CC)CCO.C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C(=O)[O-])C(=O)[O-].I

InChI

InChI=1S/C18H12O4S.C7H18NO.HI/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(23-15)18(21)22)12-9-5-2-6-10-12;1-4-8(3,5-2)6-7-9;/h1-10H,(H,19,20)(H,21,22);9H,4-7H2,1-3H3;1H/q;+1;/p-2