N-methylcarbamate; 3-(2-methyl-4-oxidanyl-phenyl)pentan-3-ylazanium; hydroiodide

Systemtic Name: N-methylcarbamate; 3-(2-methyl-4-oxidanyl-phenyl)pentan-3-ylazanium; hydroiodide Openeye Name: [1-ethyl-1-(4-hydroxy-2-methyl-phenyl)propyl]ammonium; N-methylcarbamate; hydroiodide CAS Name: 3-(4-hydroxy-2-methylphenyl)pentan-3-ylammonium; N-methylcarbamate; hydroiodide IUPAC Name: 3-(4-hydroxy-2-methylphenyl)pentan-3-ylazanium; N-methylcarbamate; hydroiodide Traditional Name: [1-ethyl-1-(4-hydroxy-2-methyl-phenyl)propyl]ammonium; N-methylcarbamate; hydroiodide Formula: C14H25IN2O3 MolecularWeight: 396.26437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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