[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-phenyl]methylazanium

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-phenyl]methylazanium Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-phenyl]methylammonium CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluorophenyl]methylammonium IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluorophenyl]methylazanium Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzyl]ammonium Formula: C16H18FN2O2S+ MolecularWeight: 321.389723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C[NH3+])F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C[NH3+])F

InChI

InChI=1S/C16H17FN2O2S/c17-15-6-5-12(10-18)9-16(15)22(20,21)19-8-7-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11,18H2/p+1