5-(3-hydroxyphenyl)nonan-5-ylazanium; N-methylcarbamate; iodide

Systemtic Name: 5-(3-hydroxyphenyl)nonan-5-ylazanium; N-methylcarbamate; iodide Openeye Name: [1-butyl-1-(3-hydroxyphenyl)pentyl]ammonium; N-methylcarbamate; iodide CAS Name: 5-(3-hydroxyphenyl)nonan-5-ylammonium; N-methylcarbamate; iodide IUPAC Name: 5-(3-hydroxyphenyl)nonan-5-ylazanium; N-methylcarbamate; iodide Traditional Name: [1-butyl-1-(3-hydroxyphenyl)pentyl]ammonium; N-methylcarbamate; iodide Formula: C17H30IN2O3- MolecularWeight: 437.33617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO.C2H5NO2.HI/c1-3-5-10-15(16,11-6-4-2)13-8-7-9-14(17)12-13;1-3-2(4)5;/h7-9,12,17H,3-6,10-11,16H2,1-2H3;3H,1H3,(H,4,5);1H/p-1