[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(methylthio)propyl]ammonium Formula: C16H27N2O2S+ MolecularWeight: 311.46278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(CCSC)[NH3+])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C[C@H](CCSC)[NH3+])OC

InChI

InChI=1S/C16H26N2O2S/c1-19-15-8-12-4-6-18(11-14(17)5-7-21-3)10-13(12)9-16(15)20-2/h8-9,14H,4-7,10-11,17H2,1-3H3/p+1/t14-/m0/s1