[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-(3,5-dimethylphenyl)azanium

Systemtic Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-(3,5-dimethylphenyl)azanium Openeye Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]-(3,5-dimethylphenyl)ammonium CAS Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-(3,5-dimethylphenyl)ammonium IUPAC Name: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-(3,5-dimethylphenyl)azanium Traditional Name: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]-(3,5-dimethylphenyl)ammonium Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O/c1-14-10-15(2)12-19(11-14)21-16(3)20(23)22-9-8-17-6-4-5-7-18(17)13-22/h4-7,10-12,16,21H,8-9,13H2,1-3H3/p+1/t16-/m0/s1