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

Systemtic Name: [(1S)-2-ethylsulfonyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Openeye Name: [(1S)-2-ethylsulfonyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium CAS Name: [(1S)-2-ethylsulfonyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium IUPAC Name: [(1S)-2-ethylsulfonyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Traditional Name: [(1S)-2-esyl-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1C[NH3+])C=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-3-19(16,17)15-7-6-10-4-5-11(18-2)8-12(10)13(15)9-14/h4-5,8,13H,3,6-7,9,14H2,1-2H3/p+1/t13-/m1/s1