[(2R)-3-[(1S)-1-cyano-3,4-dihydroisochromen-1-yl]-2-methyl-propyl]-diethyl-azanium

Systemtic Name: [(2R)-3-[(1S)-1-cyano-3,4-dihydroisochromen-1-yl]-2-methyl-propyl]-diethyl-azanium Openeye Name: [(2R)-3-[(1S)-1-cyanoisochroman-1-yl]-2-methyl-propyl]-diethyl-ammonium CAS Name: [(2R)-3-[(1S)-1-cyano-3,4-dihydro-1H-2-benzopyran-1-yl]-2-methylpropyl]-diethylammonium IUPAC Name: [(2R)-3-[(1S)-1-cyano-3,4-dihydroisochromen-1-yl]-2-methylpropyl]-diethylazanium Traditional Name: [(2R)-3-[(1S)-1-cyanoisochroman-1-yl]-2-methyl-propyl]-diethyl-ammonium Formula: C18H27N2O+ MolecularWeight: 287.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)CC1(C2=CC=CC=C2CCO1)C#N

Isomeric SMILES

CC[NH+](CC)C[C@H](C)C[C@]1(C2=CC=CC=C2CCO1)C#N

InChI

InChI=1S/C18H26N2O/c1-4-20(5-2)13-15(3)12-18(14-19)17-9-7-6-8-16(17)10-11-21-18/h6-9,15H,4-5,10-13H2,1-3H3/p+1/t15-,18-/m1/s1