[3-(3-azanyl-2,4-diethanoyl-phenoxy)-2-oxidanyl-propyl]-trimethyl-azanium iodide hydrate

Systemtic Name: [3-(3-azanyl-2,4-diethanoyl-phenoxy)-2-oxidanyl-propyl]-trimethyl-azanium iodide hydrate Openeye Name: [3-(2,4-diacetyl-3-amino-phenoxy)-2-hydroxy-propyl]-trimethyl-ammonium iodide hydrate CAS Name: [3-(2,4-diacetyl-3-aminophenoxy)-2-hydroxypropyl]-trimethylammonium iodide hydrate IUPAC Name: [3-(2,4-diacetyl-3-aminophenoxy)-2-hydroxypropyl]-trimethylazanium iodide hydrate Traditional Name: [3-(2,4-diacetyl-3-amino-phenoxy)-2-hydroxy-propyl]-trimethyl-ammonium iodide hydrate Formula: C16H27IN2O5 MolecularWeight: 454.30045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4.HI.H2O/c1-10(19)13-6-7-14(15(11(2)20)16(13)17)22-9-12(21)8-18(3,4)5;;/h6-7,12,21H,8-9H2,1-5H3,(H-,17,19,20);1H;1H2