[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CC3=CC=CC=C3)[NH3+])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H](CC3=CC=CC=C3)[NH3+])OC

InChI

InChI=1S/C20H24N2O3/c1-24-18-11-15-8-9-22(13-16(15)12-19(18)25-2)20(23)17(21)10-14-6-4-3-5-7-14/h3-7,11-12,17H,8-10,13,21H2,1-2H3/p+1/t17-/m0/s1