[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiolan-3-yl]methylazanium

Systemtic Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiolan-3-yl]methylazanium Openeye Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)tetrahydrothiophen-3-yl]methylammonium CAS Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-thiolanyl]methylammonium IUPAC Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiolan-3-yl]methylazanium Traditional Name: [(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)tetrahydrothiophen-3-yl]methylammonium Formula: C16H25N2O2S+ MolecularWeight: 309.4469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3(CCSC3)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@@]3(CCSC3)C[NH3+])OC

InChI

InChI=1S/C16H24N2O2S/c1-19-14-7-12-3-5-18(9-13(12)8-15(14)20-2)16(10-17)4-6-21-11-16/h7-8H,3-6,9-11,17H2,1-2H3/p+1/t16-/m0/s1