4-methylbenzenesulfonate; 1,3,5,7-tetramethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine

Systemtic Name: 4-methylbenzenesulfonate; 1,3,5,7-tetramethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine Openeye Name: 4-methylbenzenesulfonate; 1,3,5,7-tetramethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine CAS Name: 4-methylbenzenesulfonate; 1,3,5,7-tetramethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine IUPAC Name: 4-methylbenzenesulfonate; 1,3,5,7-tetramethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine Traditional Name: (1,3,5,7-tetramethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-yl)amine tosylate Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(C(C[N+](=C2C1)C)C)N)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1CC(C2=C(C(C[N+](=C2C1)C)C)N)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H22N2.C7H8O3S/c1-8-5-9(2)12-11(6-8)15(4)7-10(3)13(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h8-10,14H,5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)