4-methylbenzenesulfonate; 2-methyl-1,4-dihydroisoquinolin-2-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1,4-dihydroisoquinolin-2-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1,4-dihydroisoquinolin-2-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1,4-dihydroisoquinolin-2-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1,4-dihydroisoquinolin-2-ium Traditional Name: 2-methyl-1,4-dihydroisoquinolin-2-ium tosylate Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CCC2=CC=CC=C2C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CCC2=CC=CC=C2C1

InChI

InChI=1S/C10H12N.C7H8O3S/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7H,6,8H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1