3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonic acid Openeye Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonic acid CAS Name: 3-(1,1-dimethyl-2-pyrrolidin-1-iumyl)-1-methylpyridin-1-ium; 4-methylbenzenesulfonic acid IUPAC Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methylpyridin-1-ium; 4-methylbenzenesulfonic acid Traditional Name: 3-(1,1-dimethylpyrrolidin-1-ium-2-yl)-1-methyl-pyridin-1-ium; tosylic acid Formula: C19H28N2O3S+2 MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=CC(=C1)C2CCC[N+]2(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=CC(=C1)C2CCC[N+]2(C)C

InChI

InChI=1S/C12H20N2.C7H8O3S/c1-13-8-4-6-11(10-13)12-7-5-9-14(12,2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4,6,8,10,12H,5,7,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+2;