2-(1-cyano-3,4-dihydroisochromen-1-yl)propyl-diethyl-azanium chloride

Systemtic Name: 2-(1-cyano-3,4-dihydroisochromen-1-yl)propyl-diethyl-azanium chloride Openeye Name: 2-(1-cyanoisochroman-1-yl)propyl-diethyl-ammonium chloride CAS Name: 2-(1-cyano-3,4-dihydro-1H-2-benzopyran-1-yl)propyl-diethylammonium chloride IUPAC Name: 2-(1-cyano-3,4-dihydroisochromen-1-yl)propyl-diethylazanium chloride Traditional Name: 2-(1-cyanoisochroman-1-yl)propyl-diethyl-ammonium chloride Formula: C17H25ClN2O MolecularWeight: 308.8462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)C1(C2=CC=CC=C2CCO1)C#N.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(C)C1(C2=CC=CC=C2CCO1)C#N.[Cl-]

InChI

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