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

Systemtic Name: 1,3-dimethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine; 4-methylbenzenesulfonate Openeye Name: 1,3-dimethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine; 4-methylbenzenesulfonate CAS Name: 1,3-dimethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine; 4-methylbenzenesulfonate IUPAC Name: 1,3-dimethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine; 4-methylbenzenesulfonate Traditional Name: (1,3-dimethyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-yl)amine tosylate Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](=C2CCCCC2=C1N)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1C[N+](=C2CCCCC2=C1N)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H18N2.C7H8O3S/c1-8-7-13(2)10-6-4-3-5-9(10)11(8)12;1-6-2-4-7(5-3-6)11(8,9)10/h8,12H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)