3-(3-hydroxyphenyl)pentan-3-ylazanium; N-methylcarbamate; hydroiodide

Systemtic Name: 3-(3-hydroxyphenyl)pentan-3-ylazanium; N-methylcarbamate; hydroiodide Openeye Name: [1-ethyl-1-(3-hydroxyphenyl)propyl]ammonium; N-methylcarbamate; hydroiodide CAS Name: 3-(3-hydroxyphenyl)pentan-3-ylammonium; N-methylcarbamate; hydroiodide IUPAC Name: 3-(3-hydroxyphenyl)pentan-3-ylazanium; N-methylcarbamate; hydroiodide Traditional Name: [1-ethyl-1-(3-hydroxyphenyl)propyl]ammonium; N-methylcarbamate; hydroiodide Formula: C13H23IN2O3 MolecularWeight: 382.23779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO.C2H5NO2.HI/c1-3-11(12,4-2)9-6-5-7-10(13)8-9;1-3-2(4)5;/h5-8,13H,3-4,12H2,1-2H3;3H,1H3,(H,4,5);1H