4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-2,3-dihydro-1H-indol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-2,3-dihydro-1H-indol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethylindolin-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-2,3-dihydro-1H-indol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,5-tetramethyl-2,3-dihydro-1H-indol-1-ium Traditional Name: 1,2,3,5-tetramethylindolin-1-ium tosylate Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](C2=C1C=C(C=C2)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1C([NH+](C2=C1C=C(C=C2)C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H17N.C7H8O3S/c1-8-5-6-12-11(7-8)9(2)10(3)13(12)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,9-10H,1-4H3;2-5H,1H3,(H,8,9,10)