2-(1-ethanoyl-3,4-dihydroisochromen-1-yl)ethyl-diethyl-azanium

Systemtic Name: 2-(1-ethanoyl-3,4-dihydroisochromen-1-yl)ethyl-diethyl-azanium Openeye Name: 2-(1-acetylisochroman-1-yl)ethyl-diethyl-ammonium CAS Name: 2-(1-acetyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl-diethylammonium IUPAC Name: 2-(1-acetyl-3,4-dihydroisochromen-1-yl)ethyl-diethylazanium Traditional Name: 2-(1-acetylisochroman-1-yl)ethyl-diethyl-ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1(C2=CC=CC=C2CCO1)C(=O)C

Isomeric SMILES

CC[NH+](CC)CCC1(C2=CC=CC=C2CCO1)C(=O)C

InChI

InChI=1S/C17H25NO2/c1-4-18(5-2)12-11-17(14(3)19)16-9-7-6-8-15(16)10-13-20-17/h6-9H,4-5,10-13H2,1-3H3/p+1