3,4-dihydro-1H-isochromen-1-ylmethyl(diethyl)azanium chloride

Systemtic Name: 3,4-dihydro-1H-isochromen-1-ylmethyl(diethyl)azanium chloride Openeye Name: diethyl(isochroman-1-ylmethyl)ammonium chloride CAS Name: 3,4-dihydro-1H-2-benzopyran-1-ylmethyl(diethyl)ammonium chloride IUPAC Name: 3,4-dihydro-1H-isochromen-1-ylmethyl(diethyl)azanium chloride Traditional Name: diethyl(isochroman-1-ylmethyl)ammonium chloride Formula: C14H22ClNO MolecularWeight: 255.78358

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2=CC=CC=C2CCO1.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC1C2=CC=CC=C2CCO1.[Cl-]

InChI

InChI=1S/C14H21NO.ClH/c1-3-15(4-2)11-14-13-8-6-5-7-12(13)9-10-16-14;/h5-8,14H,3-4,9-11H2,1-2H3;1H