N-methylcarbamate; 3-(4-methyl-3-oxidanyl-phenyl)pentan-3-ylazanium; hydroiodide

Systemtic Name: N-methylcarbamate; 3-(4-methyl-3-oxidanyl-phenyl)pentan-3-ylazanium; hydroiodide Openeye Name: [1-ethyl-1-(3-hydroxy-4-methyl-phenyl)propyl]ammonium; N-methylcarbamate; hydroiodide CAS Name: 3-(3-hydroxy-4-methylphenyl)pentan-3-ylammonium; N-methylcarbamate; hydroiodide IUPAC Name: 3-(3-hydroxy-4-methylphenyl)pentan-3-ylazanium; N-methylcarbamate; hydroiodide Traditional Name: [1-ethyl-1-(3-hydroxy-4-methyl-phenyl)propyl]ammonium; N-methylcarbamate; hydroiodide Formula: C14H25IN2O3 MolecularWeight: 396.26437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C)O)[NH3+].CNC(=O)[O-].I

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C)O)[NH3+].CNC(=O)[O-].I

InChI

InChI=1S/C12H19NO.C2H5NO2.HI/c1-4-12(13,5-2)10-7-6-9(3)11(14)8-10;1-3-2(4)5;/h6-8,14H,4-5,13H2,1-3H3;3H,1H3,(H,4,5);1H