4-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-phenylsulfanyl-butan-2-olate

Systemtic Name: 4-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-phenylsulfanyl-butan-2-olate Openeye Name: 3-hydroxy-4-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-phenylsulfanyl-butan-2-olate CAS Name: 3-hydroxy-4-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(phenylthio)-2-butanolate IUPAC Name: 3-hydroxy-4-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-phenylsulfanylbutan-2-olate Traditional Name: 3-hydroxy-4-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(phenylthio)butan-2-olate Formula: C20H30NO2S- MolecularWeight: 348.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2CCCCC2CN1CC(C(CSC3=CC=CC=C3)[O-])O

Isomeric SMILES

CC1CC2CCCCC2CN1CC(C(CSC3=CC=CC=C3)[O-])O

InChI

InChI=1S/C20H30NO2S/c1-15-11-16-7-5-6-8-17(16)12-21(15)13-19(22)20(23)14-24-18-9-3-2-4-10-18/h2-4,9-10,15-17,19-20,22H,5-8,11-14H2,1H3/q-1