2-[[(4S)-3,4-dihydro-1H-isochromen-4-yl]oxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(4S)-3,4-dihydro-1H-isochromen-4-yl]oxy]ethyl-dimethyl-azanium Openeye Name: 2-[(4S)-isochroman-4-yl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[(4S)-3,4-dihydro-1H-2-benzopyran-4-yl]oxy]ethyl-dimethylammonium IUPAC Name: 2-[[(4S)-3,4-dihydro-1H-isochromen-4-yl]oxy]ethyl-dimethylazanium Traditional Name: 2-[(4S)-isochroman-4-yl]oxyethyl-dimethyl-ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1COCC2=CC=CC=C12

Isomeric SMILES

C[NH+](C)CCO[C@@H]1COCC2=CC=CC=C12

InChI

InChI=1S/C13H19NO2/c1-14(2)7-8-16-13-10-15-9-11-5-3-4-6-12(11)13/h3-6,13H,7-10H2,1-2H3/p+1/t13-/m1/s1