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

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-trimethyl-azanium chloride Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-trimethyl-ammonium chloride CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-trimethylammonium chloride IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-trimethylazanium chloride Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-trimethyl-ammonium chloride Formula: C18H27ClN2O MolecularWeight: 322.87278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N2O.ClH/c1-5-6-10-16-14-15-9-7-8-11-17(15)18(19-16)21-13-12-20(2,3)4;/h7-9,11,14H,5-6,10,12-13H2,1-4H3;1H/q+1;/p-1