2,4-dimethyl-4-phenyl-3H-isoquinolin-2-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,4-dimethyl-4-phenyl-3H-isoquinolin-2-ium; 4-methylbenzenesulfonate Openeye Name: 2,4-dimethyl-4-phenyl-3H-isoquinolin-2-ium; 4-methylbenzenesulfonate CAS Name: 2,4-dimethyl-4-phenyl-3H-isoquinolin-2-ium; 4-methylbenzenesulfonate IUPAC Name: 2,4-dimethyl-4-phenyl-3H-isoquinolin-2-ium; 4-methylbenzenesulfonate Traditional Name: 2,4-dimethyl-4-phenyl-3H-isoquinolin-2-ium tosylate Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C[N+](=CC2=CC=CC=C21)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C[N+](=CC2=CC=CC=C21)C)C3=CC=CC=C3

InChI

InChI=1S/C17H18N.C7H8O3S/c1-17(15-9-4-3-5-10-15)13-18(2)12-14-8-6-7-11-16(14)17;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1