2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonic acid

Systemtic Name: 2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonic acid Openeye Name: 2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonic acid CAS Name: 2-ethyl-7-methyl-1-isoquinolin-2-iumsulfonic acid IUPAC Name: 2-ethyl-7-methylisoquinolin-2-ium-1-sulfonic acid Traditional Name: 2-ethyl-7-methyl-isoquinolin-2-ium-1-sulfonic acid Formula: C12H14NO3S+ MolecularWeight: 252.30946

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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/p+1