2-methoxyisoquinolin-2-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-methoxyisoquinolin-2-ium; 4-methylbenzenesulfonate Openeye Name: 2-methoxyisoquinolin-2-ium; 4-methylbenzenesulfonate CAS Name: 2-methoxyisoquinolin-2-ium; 4-methylbenzenesulfonate IUPAC Name: 2-methoxyisoquinolin-2-ium; 4-methylbenzenesulfonate Traditional Name: 2-methoxyisoquinolin-2-ium tosylate Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CO[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CO[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C10H10NO.C7H8O3S/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1