2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-azanium chloride

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-azanium chloride Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-dimethylammonium chloride IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethylazanium chloride Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-ammonium chloride Formula: C17H25ClN2O MolecularWeight: 308.8462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H