(3R)-3-[(S)-methoxy(phenyl)methyl]-1-methyl-2,3-dihydrothiochromen-1-ium-4-one

Systemtic Name: (3R)-3-[(S)-methoxy(phenyl)methyl]-1-methyl-2,3-dihydrothiochromen-1-ium-4-one Openeye Name: (3R)-3-[(S)-methoxy(phenyl)methyl]-1-methyl-thiochroman-1-ium-4-one CAS Name: (3R)-3-[(S)-methoxy(phenyl)methyl]-1-methyl-2,3-dihydro-1-benzothiopyran-1-ium-4-one IUPAC Name: (3R)-3-[(S)-methoxy(phenyl)methyl]-1-methyl-2,3-dihydrothiochromen-1-ium-4-one Traditional Name: (3R)-3-[(S)-methoxy(phenyl)methyl]-1-methyl-thiochroman-1-ium-4-one Formula: C18H19O2S+ MolecularWeight: 299.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1C[S+](C2=CC=CC=C2C1=O)C)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]([C@H]1C[S+](C2=CC=CC=C2C1=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H19O2S/c1-20-18(13-8-4-3-5-9-13)15-12-21(2)16-11-7-6-10-14(16)17(15)19/h3-11,15,18H,12H2,1-2H3/q+1/t15-,18+,21?/m0/s1