[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]ammonium Formula: C12H17N2O+ MolecularWeight: 205.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)[NH3+]

InChI

InChI=1S/C12H16N2O/c1-9(13)12(15)14-7-6-10-4-2-3-5-11(10)8-14/h2-5,9H,6-8,13H2,1H3/p+1/t9-/m0/s1