N,N-dimethylpyridin-1-ium-4-amine; 4-methylbenzenesulfonate

Systemtic Name: N,N-dimethylpyridin-1-ium-4-amine; 4-methylbenzenesulfonate Openeye Name: N,N-dimethylpyridin-1-ium-4-amine; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-4-pyridin-1-iumamine; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethylpyridin-1-ium-4-amine; 4-methylbenzenesulfonate Traditional Name: dimethyl(pyridin-1-ium-4-yl)amine tosylate Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC=[NH+]C=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC=[NH+]C=C1

InChI

InChI=1S/C7H10N2.C7H8O3S/c1-9(2)7-3-5-8-6-4-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)