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

Systemtic Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]ammonium Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3S/c1-20-14-8-11-4-6-18(10-12(11)9-15(14)21-2)16(19)13(17)5-7-22-3/h8-9,13H,4-7,10,17H2,1-3H3/p+1/t13-/m0/s1