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

Systemtic Name: 2-[(1R)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethylazanium Openeye Name: 2-[(1R)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethylammonium CAS Name: 2-[(1R)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethylammonium IUPAC Name: 2-[(1R)-7-methoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethylazanium Traditional Name: 2-[(1R)-2-mesyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethylammonium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2CC[NH3+])S(=O)(=O)C)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-18-11-4-3-10-6-8-15(19(2,16)17)13(5-7-14)12(10)9-11/h3-4,9,13H,5-8,14H2,1-2H3/p+1/t13-/m1/s1