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

Systemtic Name: N,N-dimethylpyridin-1-ium-1-amine; 4-methylbenzenesulfonate Openeye Name: N,N-dimethylpyridin-1-ium-1-amine; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-1-pyridin-1-iumamine; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethylpyridin-1-ium-1-amine; 4-methylbenzenesulfonate Traditional Name: dimethyl(pyridin-1-ium-1-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)[N+]1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)[N+]1=CC=CC=C1

InChI

InChI=1S/C7H11N2.C7H8O3S/c1-8(2)9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1