[(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methanol

Systemtic Name: [(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methanol Openeye Name: [(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methanol CAS Name: [(3R,4R)-2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydroisoquinolin-2-ium-3-yl]methanol IUPAC Name: [(3R,4R)-2-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methanol Traditional Name: [(3R,4R)-2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydroisoquinolin-2-ium-3-yl]methanol Formula: C18H20NOS+ MolecularWeight: 298.4225

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(C1CO)C3=CC=C(C=C3)SC

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2[C@H]([C@@H]1CO)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H20NOS/c1-19-11-14-5-3-4-6-16(14)18(17(19)12-20)13-7-9-15(21-2)10-8-13/h3-11,17-18,20H,12H2,1-2H3/q+1/t17-,18+/m0/s1