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

Systemtic Name: 4-methylbenzenesulfonate; N,N,1-trimethylpyridin-1-ium-4-amine Openeye Name: 4-methylbenzenesulfonate; N,N,1-trimethylpyridin-1-ium-4-amine CAS Name: 4-methylbenzenesulfonate; N,N,1-trimethyl-4-pyridin-1-iumamine IUPAC Name: 4-methylbenzenesulfonate; N,N,1-trimethylpyridin-1-ium-4-amine Traditional Name: dimethyl-(1-methylpyridin-1-ium-4-yl)amine tosylate Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N2.C7H8O3S/c1-9(2)8-4-6-10(3)7-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1