2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium Openeye Name: 2-(p-tolylsulfonylmethyl)isoquinolin-2-ium CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium Traditional Name: 2-(tosylmethyl)isoquinolin-2-ium Formula: C17H16NO2S+ MolecularWeight: 298.37944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H16NO2S/c1-14-6-8-17(9-7-14)21(19,20)13-18-11-10-15-4-2-3-5-16(15)12-18/h2-12H,13H2,1H3/q+1