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

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-(2-methylphenyl)azanium Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]-(o-tolyl)ammonium CAS Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-(2-methylphenyl)ammonium IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-(2-methylphenyl)azanium Traditional Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]-(o-tolyl)ammonium Formula: C19H23N2O+ MolecularWeight: 295.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[NH2+]C(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC=CC=C1[NH2+][C@@H](C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H22N2O/c1-14-7-3-6-10-18(14)20-15(2)19(22)21-12-11-16-8-4-5-9-17(16)13-21/h3-10,15,20H,11-13H2,1-2H3/p+1/t15-/m0/s1