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

Systemtic Name: [(1S)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Openeye Name: [(1S)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium CAS Name: [(1S)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium IUPAC Name: [(1S)-2-ethylsulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Traditional Name: [(1S)-2-esyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium Formula: C14H23N2O4S+ MolecularWeight: 315.40842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=CC(=C(C=C2C1C[NH3+])OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC2=CC(=C(C=C2[C@H]1C[NH3+])OC)OC

InChI

InChI=1S/C14H22N2O4S/c1-4-21(17,18)16-6-5-10-7-13(19-2)14(20-3)8-11(10)12(16)9-15/h7-8,12H,4-6,9,15H2,1-3H3/p+1/t12-/m1/s1