6-tert-butylsulfonyl-2-methyl-isoquinolin-2-ium

Systemtic Name: 6-tert-butylsulfonyl-2-methyl-isoquinolin-2-ium Openeye Name: 6-tert-butylsulfonyl-2-methyl-isoquinolin-2-ium CAS Name: 6-tert-butylsulfonyl-2-methylisoquinolin-2-ium IUPAC Name: 6-tert-butylsulfonyl-2-methylisoquinolin-2-ium Traditional Name: 6-tert-butylsulfonyl-2-methyl-isoquinolin-2-ium Formula: C14H18NO2S+ MolecularWeight: 264.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C1=CC2=C(C=C1)C=[N+](C=C2)C

Isomeric SMILES

CC(C)(C)S(=O)(=O)C1=CC2=C(C=C1)C=[N+](C=C2)C

InChI

InChI=1S/C14H18NO2S/c1-14(2,3)18(16,17)13-6-5-12-10-15(4)8-7-11(12)9-13/h5-10H,1-4H3/q+1