[(1S)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium

Systemtic Name: [(1S)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Openeye Name: [(1S)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium CAS Name: [(1S)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium IUPAC Name: [(1S)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Traditional Name: [(1S)-2-mesyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2C[NH3+])S(=O)(=O)C)C=C1

Isomeric SMILES

COC1=CC2=C(CCN([C@@H]2C[NH3+])S(=O)(=O)C)C=C1

InChI

InChI=1S/C12H18N2O3S/c1-17-10-4-3-9-5-6-14(18(2,15)16)12(8-13)11(9)7-10/h3-4,7,12H,5-6,8,13H2,1-2H3/p+1/t12-/m1/s1