diethyl-(2-hydroxyethyl)-methyl-azanium; phenanthro[9,10-c]thiophene-1,3-dicarboxylate; hydroiodide

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; phenanthro[9,10-c]thiophene-1,3-dicarboxylate; hydroiodide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; phenanthro[9,10-c]thiophene-1,3-dicarboxylate; hydroiodide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; phenanthro[9,10-c]thiophene-1,3-dicarboxylate; hydroiodide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; phenanthro[9,10-c]thiophene-1,3-dicarboxylate; hydroiodide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; phenanthro[9,10-c]thiophene-1,3-dicarboxylate; hydroiodide Formula: C25H27INO5S- MolecularWeight: 580.45505

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.C1=CC=C2C(=C1)C3=CC=CC=C3C4=C(SC(=C24)C(=O)[O-])C(=O)[O-].I

Isomeric SMILES

CC[N+](C)(CC)CCO.C1=CC=C2C(=C1)C3=CC=CC=C3C4=C(SC(=C24)C(=O)[O-])C(=O)[O-].I

InChI

InChI=1S/C18H10O4S.C7H18NO.HI/c19-17(20)15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16(23-15)18(21)22;1-4-8(3,5-2)6-7-9;/h1-8H,(H,19,20)(H,21,22);9H,4-7H2,1-3H3;1H/q;+1;/p-2