2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonate

Systemtic Name: 2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonate Openeye Name: 2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonate CAS Name: 2-ethyl-7-methyl-1-isoquinolin-2-iumsulfonate IUPAC Name: 2-ethyl-7-methylisoquinolin-2-ium-1-sulfonate Traditional Name: 2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonate Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=C(C=CC(=C2)C)C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C2=C(C=CC(=C2)C)C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13NO3S/c1-3-13-7-6-10-5-4-9(2)8-11(10)12(13)17(14,15)16/h4-8H,3H2,1-2H3