[3-[(4-ethoxycarbonyl-3-oxidanyl-phenyl)amino]-3-oxidanylidene-propyl]-trimethyl-azanium iodide

Systemtic Name: [3-[(4-ethoxycarbonyl-3-oxidanyl-phenyl)amino]-3-oxidanylidene-propyl]-trimethyl-azanium iodide Openeye Name: [3-(4-ethoxycarbonyl-3-hydroxy-anilino)-3-oxo-propyl]-trimethyl-ammonium iodide CAS Name: [3-(4-ethoxycarbonyl-3-hydroxyanilino)-3-oxopropyl]-trimethylammonium iodide IUPAC Name: [3-(4-ethoxycarbonyl-3-hydroxyanilino)-3-oxopropyl]-trimethylazanium iodide Traditional Name: [3-(4-carbethoxy-3-hydroxy-anilino)-3-keto-propyl]-trimethyl-ammonium iodide Formula: C15H23IN2O4 MolecularWeight: 422.25859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+](C)(C)C)O.[I-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+](C)(C)C)O.[I-]

InChI

InChI=1S/C15H22N2O4.HI/c1-5-21-15(20)12-7-6-11(10-13(12)18)16-14(19)8-9-17(2,3)4;/h6-7,10H,5,8-9H2,1-4H3,(H-,16,18,19,20);1H