6,7-dimethoxy-2-[(3S)-1-(thian-4-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[(3S)-1-(thian-4-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[(3S)-1-tetrahydrothiopyran-4-yl-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[(3S)-1-(4-thianyl)-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[(3S)-1-(thian-4-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[(3S)-1-tetrahydrothiopyran-4-yl-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C21H32N2O2S MolecularWeight: 376.55598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)C4CCSCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCCN(C3)C4CCSCC4)OC

InChI

InChI=1S/C21H32N2O2S/c1-24-20-12-16-5-9-23(14-17(16)13-21(20)25-2)19-4-3-8-22(15-19)18-6-10-26-11-7-18/h12-13,18-19H,3-11,14-15H2,1-2H3/t19-/m0/s1